SCHEMBL3153147

SCHEMBL3153147

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

nearest known ligand 0.68

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.68
PYCR1 P32322 1/20 0.56
MAPT P10636 1/20 0.55
SIGMAR1 Q99720 3/20 0.52
TMEM97 Q5BJF2 2/20 0.52
CRHBP P24387 1/20 0.50
CRHR2 Q13324 1/20 0.50
ALDH1A1 P00352 1/20 0.47
CDC25C P30307 2/20 0.45

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
Hydrochloric Acid SCHEMBL11139253 0.98 KCNH2 (0.67) KCNH2PYCR1MAPTSIGMAR1TMEM97
SCHEMBL17795657 0.94 KCNH2 (0.68) KCNH2PYCR1MAPTSIGMAR1TMEM97
SCHEMBL3156616 0.87 KCNH2 (0.62) KCNH2PYCR1MAPTSIGMAR1TMEM97
SCHEMBL15807649 0.87 KCNH2 (0.72) KCNH2MAPTSIGMAR1CRHBPCRHR2
SCHEMBL18622123 0.87 KCNH2 (0.77) KCNH2MAPTSIGMAR1ALDH1A1
SCHEMBL11230425 0.87 KCNH2 (0.77) KCNH2MAPTSIGMAR1ALDH1A1
SCHEMBL15807650 0.87 KCNH2 (0.77) KCNH2MAPTSIGMAR1ALDH1A1
SCHEMBL11780168 0.85 KCNH2 (0.78) KCNH2PYCR1SIGMAR1TMEM97CRHBP
SCHEMBL3152144 0.84 KCNH2 (0.68) KCNH2PYCR1MAPTSIGMAR1TMEM97
SCHEMBL7764359 0.83 SIGMAR1 (0.58) KCNH2MAPTSIGMAR1TMEM97ALDH1A1

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 6 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-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