SCHEMBL7590376

SCHEMBL7590376

COC(=O)c1ccc2cc(C#N)c(C#N)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 1/20 0.53
LCK P06239 1/20 0.50
PLAU P00749 2/20 0.48
USP2 O75604 1/20 0.48
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA12 O43570 1/20 0.47
CA7 P43166 1/20 0.47
XDH P47989 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
CYP19A1 P11511 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
ALOX15 P16050 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 2/20 0.45
HGFAC Q04756 1/20 0.45
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5695700 0.90 PTPN11 (0.47) PTPN11LCKPLAUUSP2CA1
SCHEMBL8148281 0.84 CA1 (0.52) USP2CA1CA2CA12CA7
SCHEMBL9979782 0.84 PTPN11 (0.64) PTPN11LCKPLAUCA1CA2
SCHEMBL69025 0.84 PTPN11 (0.68) PTPN11LCKPLAUCA1CA2
SCHEMBL29365729 0.84 PTPN11 (0.68) PTPN11LCKPLAUCA1CA2
SCHEMBL5566033 0.83 PLAU (0.64) PTPN11LCKPLAUUSP2CA1
SCHEMBL3558563 0.82 PLAU (0.59) PTPN11LCKPLAUCA1CA2
SCHEMBL8732524 0.82 PTPN11 (0.66) PTPN11LCKPLAUCA1CA2
SCHEMBL709231 0.82 LCK (0.62) PTPN11LCKCA1CA2CA12
SCHEMBL9005203 0.81 KDM4E (0.42) PTPN11USP2CA1CA2CA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284369-B1 5- OR 6-ALKOXYCARBONYL-2,3-DICYANONAPHTHALENES AND PROCESS FOR PRODUCTION THEREOF Hitachi Chemical Co., Ltd. (JP) 1992-05-20 EP claimed
US-4833264-A INTERMEDIATES FOR NAPHTHALOCYANINE DYES HITACHI CHEMICAL CO., LTD. (JP) 1989-05-23 US claimed
EP-0284369-A2 5- or 6-alkoxycarbonyl-2,3-dicyanonaphthalenes and process for production thereof Hitachi Chemical Co., Ltd. (JP) 1988-09-28 EP claimed
JP-1006249-A None JP disclosed
EP-0597389-B1 Water-soluble tetraazaporphins and fluorochrome for labeling HITACHI CHEMICAL CO LTD (JP) 2002-10-02 EP disclosed
US-5665875-A Water-soluble tetraazaporphins and fluorochrome for labeling HITACHI CHEMICAL CO., LTD. (JP) 1997-09-09 US disclosed
US-5627028-A Water-soluble tetraazaporphins and fluorochrome for labeling HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-05-06 US disclosed
EP-0502723-B1 Water-soluble tetraazaporphins and fluorochrome for labeling HITACHI CHEMICAL CO LTD (JP) 1996-10-09 EP disclosed
EP-0464959-B1 Naphthalocyanine derivatives and production processes thereof, as well as optical information recording media using the derivatives and production processes thereof HITACHI CHEMICAL CO LTD (JP) 1995-12-20 EP disclosed
US-5438135-A Fluorescence analysis HITACHI CHEMICAL COMPANY (JP) 1995-08-01 US disclosed
EP-0284370-B1 Naphthalocyanine derivatives and production processes thereof, as well as optical information recording media using the derivatives and production processes thereof HITACHI CHEMICAL CO LTD (JP) 1994-06-22 EP disclosed
EP-0597389-A1 Water-soluble tetraazaporphins and fluorochrome for labeling HITACHI CHEMICAL COMPANY, LTD. (JP) 1994-05-18 EP disclosed
WO-1994005025-A1 USE OF OPTICAL BRIGHTENERS AND PHTHALOCYANINES AS PHOTOSENSITIZERS SANDOZ LTD. (CH) 1994-03-03 WO disclosed
US-5219706-A Naphthalocyanine derivative and production process thereof, as well as optical information recording media using the derivatives and production process thereof HITACHI, LTD. (JP) 1993-06-15 US disclosed
EP-0502723-A2 Water-soluble tetraazaporphins and fluorochrome for labeling HITACHI CHEMICAL CO., LTD. (JP) 1992-09-09 EP disclosed
EP-0284369-B1 5- OR 6-ALKOXYCARBONYL-2,3-DICYANONAPHTHALENES AND PROCESS FOR PRODUCTION THEREOF Hitachi Chemical Co., Ltd. (JP) 1992-05-20 EP disclosed
EP-0464959-A2 Naphthalocyanine derivatives and production processes thereof, as well as optical information recording media using the derivatives and production processes thereof Hitachi Chemical Co., Ltd. (JP) 1992-01-08 EP disclosed
US-4833264-A INTERMEDIATES FOR NAPHTHALOCYANINE DYES HITACHI CHEMICAL CO., LTD. (JP) 1989-05-23 US disclosed
EP-0284369-A2 5- or 6-alkoxycarbonyl-2,3-dicyanonaphthalenes and process for production thereof Hitachi Chemical Co., Ltd. (JP) 1988-09-28 EP disclosed
EP-0284370-A2 Naphthalocyanine derivatives and production processes thereof, as well as optical information recording media using the derivatives and production processes thereof Hitachi Chemical Co., Ltd. (JP) 1988-09-28 EP disclosed