SCHEMBL3147987

SCHEMBL3147987

COCCN(C)CC(=O)N(C)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
KCNH2 Q12809 3/20 0.43
MAPT P10636 5/20 0.43
CYP1A2 P05177 1/20 0.42
GAA P10253 2/20 0.40
MMP14 P50281 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
POLB P06746 2/20 0.39

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
SCHEMBL3145062 0.90 KCNH2 (0.45) ALDH1A1SMN1; SMN2KCNH2MAPTCYP1A2
SCHEMBL3151841 0.85 POLB (0.46) ALDH1A1SMN1; SMN2MAPTCYP1A2GAA
SCHEMBL3148384 0.81 PPIB (0.43) ALDH1A1KCNH2CYP1A2GAAMAPK1
SCHEMBL3936872 0.80 MAPT (0.60) ALDH1A1SMN1; SMN2MAPTCYP1A2GAA
SCHEMBL3155889 0.80 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2MAPTCYP1A2GAA
SCHEMBL3149238 0.80 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2MAPTCYP1A2GAA
SCHEMBL3033674 0.77 MAPT (0.64) ALDH1A1SMN1; SMN2KCNH2MAPTCYP1A2
SCHEMBL3149099 0.77 MAPT (0.46) ALDH1A1SMN1; SMN2KCNH2MAPTCYP1A2
SCHEMBL3154611 0.76 TMEM97 (0.55) ALDH1A1SMN1; SMN2CYP1A2ATML3MBTL1
SCHEMBL12006709 0.75 POLB (0.52) ALDH1A1SMN1; SMN2KCNH2MAPTCYP1A2

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