SCHEMBL3154646

SCHEMBL3154646

CCN(C)Cc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PYCR1 P32322 1/20 0.66
CRHBP P24387 2/20 0.58
CRHR2 Q13324 2/20 0.58
KCNH2 Q12809 5/20 0.57
LOXL2 Q9Y4K0 1/20 0.50
SIGMAR1 Q99720 3/20 0.48
TMEM97 Q5BJF2 2/20 0.48
MAPT P10636 2/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.47
TLR9 Q9NR96 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
TSHR P16473 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
IDO1 P14902 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
Catechol SCHEMBL27570162 0.89 CRHBP (0.56) PYCR1CRHBPCRHR2KCNH2SIGMAR1
SCHEMBL3156616 0.86 KCNH2 (0.62) PYCR1CRHBPCRHR2KCNH2LOXL2
SCHEMBL3148248 0.84 ACHE (0.64) PYCR1CRHBPCRHR2KCNH2LOXL2
SCHEMBL3143221 0.84 CRHBP (0.71) PYCR1CRHBPCRHR2KCNH2SIGMAR1
SCHEMBL3157181 0.83 CYP2C19 (0.59) PYCR1CRHBPCRHR2KCNH2LOXL2
SCHEMBL17795657 0.83 KCNH2 (0.68) PYCR1CRHBPCRHR2KCNH2LOXL2
SCHEMBL3153458 0.82 CRHBP (0.64) PYCR1CRHBPCRHR2KCNH2LOXL2
SCHEMBL3146890 0.82 KCNH2 (0.62) PYCR1CRHBPCRHR2KCNH2LOXL2
SCHEMBL3148676 0.82 PYCR1 (0.62) PYCR1CRHBPCRHR2KCNH2LOXL2
SCHEMBL3152135 0.82 PYCR1 (0.62) PYCR1CRHBPCRHR2KCNH2LOXL2

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 7 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
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
WO-2001027081-A1 6-POSITION SUBSTITUTED INDOLINE, PRODUCTION AND USE THEREOF AS A MEDICAMENT BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed