SCHEMBL3152135

SCHEMBL3152135

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 2/20 0.62
CYP1A2 P05177 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
CRHBP P24387 2/20 0.55
CRHR2 Q13324 2/20 0.55
KCNH2 Q12809 1/20 0.55
ALDH1A1 P00352 5/20 0.50
HTT P42858 4/20 0.50
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
LMNA P02545 3/20 0.49
TP53 P04637 1/20 0.49
USP2 O75604 1/20 0.48
OPRK1 P41145 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47
TDP1 Q9NUW8 2/20 0.46
MMP1 P03956 1/20 0.46
MMP2 P08253 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
SCHEMBL3155853 0.85 PYCR1 (0.54) PYCR1CYP1A2CYP2C9CYP2C19CRHBP
SCHEMBL3143221 0.84 CRHBP (0.71) PYCR1CYP1A2CYP2C9CYP2C19CRHBP
SCHEMBL3148248 0.84 ACHE (0.64) PYCR1CYP1A2CYP2C9CYP2C19CRHBP
SCHEMBL7227865 0.83 PYCR1 (0.58) PYCR1CYP1A2CYP2C9CYP2C19CRHBP
SCHEMBL3148676 0.83 PYCR1 (0.62) PYCR1CRHBPCRHR2KCNH2ALDH1A1
SCHEMBL3153145 0.83 PYCR1 (0.62) PYCR1CRHBPCRHR2KCNH2ALDH1A1
SCHEMBL3154646 0.82 PYCR1 (0.66) PYCR1CYP1A2CYP2C9CYP2C19CRHBP
SCHEMBL2351816 0.81 POLB (0.67) PYCR1CRHBPCRHR2KCNH2ALDH1A1
SCHEMBL18532755 0.81 PYCR1 (0.67) PYCR1ALDH1A1HTTKMT2AMEN1
SCHEMBL30131235 0.81 CRHBP (0.59) CYP1A2CYP2C9CYP2C19CRHBPCRHR2

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 11 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
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
WO-1999062882-A1 SUBSTITUTED INDOLINONES, THE PRODUCTION THEREOF AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA KG (DE) 1999-12-09 WO disclosed