SCHEMBL3148676

SCHEMBL3148676

CN(Cc1ccc(Br)cc1)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 5/20 0.62
CYP19A1 P11511 2/20 0.56
CRHBP P24387 1/20 0.55
CRHR2 Q13324 1/20 0.55
ALDH1A1 P00352 4/20 0.55
MAPT P10636 2/20 0.55
KMT2A Q03164 2/20 0.55
LMNA P02545 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
KCNH2 Q12809 2/20 0.55
NPSR1 Q6W5P4 1/20 0.50
MAOB P27338 1/20 0.49
OPRK1 P41145 1/20 0.48
KDM4E B2RXH2 1/20 0.47
LOXL2 Q9Y4K0 1/20 0.47
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46
SIGMAR1 Q99720 1/20 0.46
CXCR3 P49682 1/20 0.46

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
SCHEMBL3143221 0.84 CRHBP (0.71) PYCR1CRHBPCRHR2ALDH1A1MAPT
SCHEMBL3148248 0.84 ACHE (0.64) PYCR1CRHBPCRHR2ALDH1A1MAPT
SCHEMBL3152135 0.83 PYCR1 (0.62) PYCR1CYP19A1CRHBPCRHR2ALDH1A1
SCHEMBL3153145 0.83 PYCR1 (0.62) PYCR1CYP19A1CRHBPCRHR2ALDH1A1
SCHEMBL3154646 0.82 PYCR1 (0.66) PYCR1CRHBPCRHR2ALDH1A1MAPT
SCHEMBL2351816 0.81 POLB (0.67) PYCR1CYP19A1CRHBPCRHR2ALDH1A1
SCHEMBL15128047 0.81 PYCR1 (0.67) PYCR1ALDH1A1KMT2ALMNAMAOB
SCHEMBL3162128 0.80 KCNH2 (0.63) PYCR1CRHBPCRHR2ALDH1A1MAPT
SCHEMBL2759075 0.80 POLB (0.63) CYP19A1CRHBPCRHR2ALDH1A1MAPT
SCHEMBL3153458 0.80 CRHBP (0.64) PYCR1CRHBPCRHR2ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1224170-B9 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2017-11-22 EP disclosed
EP-2157081-A1 Indolinones substituted in six locations, their manufacture and their application as medicine Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2010-02-24 EP disclosed
EP-1224170-B1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA (DE) 2009-08-12 EP disclosed
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed
EP-1071665-B1 SUBSTITUTED INDOLINONES HAVING AN INHIBITING EFFECT ON KINASES AND CYCLINE/CDK COMPLEXES BOEHRINGER INGELHEIM PHARMA (DE) 2003-10-01 EP disclosed
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
CN-1391557-A 6-substituted indolinones, their preparation and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA (DE) 2003-01-15 CN disclosed
EP-1224170-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP 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-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed
US-6169106-B1 ANTITUMOUR AGENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-01-02 US disclosed
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed