SCHEMBL7231697

SCHEMBL7231697

CCC(Cc1ccc([N+](=O)[O-])cc1)NCc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
CHRM2 P08172 1/20 0.46
PTPRF P10586 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN11 Q06124 1/20 0.46
IDO1 P14902 2/20 0.44
MAPT P10636 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
SLC6A4 P31645 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41

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
SCHEMBL3158301 0.93 ALDH1A1 (0.49) LMNACHRM2PTPRFPTPN2PTPN1
SCHEMBL11410509 0.86 LMNA (0.51) LMNACHRM2PTPRFPTPN2PTPN1
SCHEMBL3156928 0.85 TSHR (0.46) CHRM2PTPRFPTPN2PTPN1PTPN11
SCHEMBL4884496 0.82 PTPRF (0.46) LMNACHRM2PTPRFPTPN2PTPN1
SCHEMBL4884480 0.82 PTPRF (0.46) LMNACHRM2PTPRFPTPN2PTPN1
SCHEMBL4889311 0.82 PTPRF (0.46) LMNACHRM2PTPRFPTPN2PTPN1
SCHEMBL6238634 0.81 ALDH1A1 (0.51) LMNACHRM2PTPRFPTPN2PTPN1
SCHEMBL23802828 0.80 LMNA (0.58) LMNAPTPRFPTPN2PTPN1PTPN11
SCHEMBL6540295 0.80 LMNA (0.58) LMNAPTPRFPTPN2PTPN1PTPN11
SCHEMBL12454298 0.79 MEN1 (0.53) LMNACHRM2PTPRFPTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6545035-B1 Having effect on various kinases and cycline/CDK complexes and on the proliferation of various tumour cells. BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-04-08 US disclosed
US-6319918-B1 FOR LYMPHOMA OR SOLID TUMORS TREATMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-20 US disclosed
EP-1100779-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2001-05-23 EP disclosed
WO-2000073297-A1 SUBSTITUTED INDOLINONE AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2000-12-07 WO disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed