SCHEMBL3143809

SCHEMBL3143809

COCCOC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(C(C)(C)N)cc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.42
BACE1 P56817 2/20 0.40
ROCK2 O75116 1/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
HTT P42858 1/20 0.38
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
TP53 P04637 3/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 2/20 0.35
AURKB Q96GD4 1/20 0.35
ALDH1A1 P00352 1/20 0.35

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
SCHEMBL3155804 0.92 RXFP1 (0.40) RXFP1BACE1SMN1; SMN2GAANPC1
SCHEMBL480902 0.92 RXFP1 (0.40) RXFP1BACE1SMN1; SMN2GAANPC1
SCHEMBL2571213 0.92 RXFP1 (0.40) RXFP1BACE1SMN1; SMN2GAANPC1
SCHEMBL2573629 0.90 RXFP1 (0.49) RXFP1SMN1; SMN2GAANPC1RAB9A
SCHEMBL2568537 0.90 KMT2A (0.43) RXFP1BACE1SMN1; SMN2GAANPC1
SCHEMBL3161556 0.90 KDM4E (0.41) RXFP1BACE1SMN1; SMN2GAANPC1
SCHEMBL2570006 0.90 RXFP1 (0.41) RXFP1BACE1SMN1; SMN2GAANPC1
SCHEMBL2571162 0.89 MAPT (0.41) RXFP1BACE1SMN1; SMN2GAANPC1
SCHEMBL3157321 0.88 RXFP1 (0.40) RXFP1BACE1SMN1; SMN2GAANPC1
SCHEMBL2568413 0.86 RXFP1 (0.44) RXFP1SMN1; SMN2GAANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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