SCHEMBL8955230

SCHEMBL8955230

N#Cc1cc2ccccc2c(Br)c1C#N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 3/20 0.45
CLK1 P49759 2/20 0.45
NCOA3 Q9Y6Q9 1/20 0.44
CA1 P00915 4/20 0.42
CA2 P00918 4/20 0.42
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 4/20 0.41
GAA P10253 2/20 0.40
MEN1 O00255 2/20 0.39
MAPT P10636 2/20 0.39
KMT2A Q03164 2/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
ANPEP P15144 1/20 0.38
POLB P06746 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CLK2 P49760 1/20 0.35

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
SCHEMBL28869476 0.82 CLK1 (0.49) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL31457372 0.82 CLK1 (0.49) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL24373720 0.80 CA1 (0.42) DYRK1ACLK1CA1CA2KDM4E
SCHEMBL10338293 0.78 KDM4E (0.59) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL10829252 0.78 CLK1 (0.45) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL3961346 0.78 DYRK1A (0.45) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL9453843 0.78 CLK1 (0.45) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL11845987 0.78 KDM4E (0.47) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL7307452 0.78 CA1 (0.46) DYRK1ACLK1NCOA3CA1CA2
SCHEMBL23928094 0.78 MAOB (0.36) DYRK1AKDM4EALDH1A1GAAMEN1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5484685-A Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof HITACHI, LTD. (JP) 1996-01-16 US disclosed
EP-0366440-B1 Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof HITACHI CHEMICAL CO LTD (JP) 1994-06-08 EP disclosed
EP-0357360-B1 Naphthalocyanine derivatives, production thereof and optical recording medium using the same HITACHI CHEMICAL CO LTD (JP) 1994-06-08 EP disclosed
US-5268485-A A 1,3-diiminobenz(f)isoindoline derivative HITACHI CHEMICAL COMPANY, LTD. (JP) 1993-12-07 US disclosed
EP-0378336-B1 Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof HITACHI CHEMICAL CO LTD (JP) 1993-12-01 EP disclosed
US-5214188-A Chemical intermediates for naphthalocyanine dyes HITACHI, LTD. (JP) 1993-05-25 US disclosed
EP-0296876-B1 NAPHTHALOCYANINE DERIVATIVES AND THEIR USE IN OPTICAL RECORDING MEDIUM Hitachi Chemical Co., Ltd. (JP) 1993-01-20 EP disclosed
US-5110968-A NAPHTHALOCYANINE DERIVATIVES, PRODUCTION THEREOF, OPTICAL RECORDING MEDIUM USING THE SAME, AND PRODUCTION THEREOF HITACHI, CHEMICAL COMPANY LTD. (JP) 1992-05-05 US disclosed
US-5075203-A Containing sulfone groups; absorbers of laser beams HITACHI CHEMICAL COMPANY, LTD. (JP) 1991-12-24 US disclosed
US-5039600-A Solubility in organic solvents, absorption of semiconductor laser light HITACHI CHEMICAL COMPANY, LTD. (JP) 1991-08-13 US disclosed
US-5034309-A Used for forming a recording layer HITACHI CHEMICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0378336-A1 Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof Hitachi Chemical Co., Ltd. (JP) 1990-07-18 EP disclosed
EP-0366440-A2 Naphthalocyanine derivatives, production thereof, optical recording medium using the same, and production thereof Hitachi Chemical Co., Ltd. (JP) 1990-05-02 EP disclosed
EP-0357360-A2 Naphthalocyanine derivatives, production thereof and optical recording medium using the same Hitachi Chemical Co., Ltd. (JP) 1990-03-07 EP disclosed
EP-0296876-A2 Naphthalocyanine derivatives and their use in optical recording medium Hitachi Chemical Co., Ltd. (JP) 1988-12-28 EP disclosed