SCHEMBL3143368

SCHEMBL3143368

CCNCc1ccc(N/C(=C2\C(=O)Nc3cc(C(=O)O)ccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.40
HIF1A Q16665 1/20 0.36
S1PR5 Q9H228 1/20 0.36
KIT P10721 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
FLT3 P36888 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
LTA4H P09960 2/20 0.36
MAPT P10636 3/20 0.35
NAMPT P43490 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
TP53 P04637 2/20 0.35
PTPN1 P18031 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.35
MITF O75030 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL3143382 1.00 BACE1 (0.40) BACE1HIF1AS1PR5KITFLT4
SCHEMBL2566854 0.93 BACE1 (0.39) BACE1RXFP1MAPTNAMPTSMN1; SMN2
SCHEMBL2566851 0.93 BACE1 (0.39) BACE1RXFP1MAPTNAMPTSMN1; SMN2
SCHEMBL31094018 0.92 LMNA (0.43) BACE1HIF1ARXFP1MAPTNAMPT
SCHEMBL437194 0.92 LMNA (0.43) BACE1HIF1ARXFP1MAPTNAMPT
SCHEMBL5316055 0.92 LMNA (0.43) BACE1HIF1ARXFP1MAPTNAMPT
SCHEMBL437193 0.92 LMNA (0.43) BACE1HIF1ARXFP1MAPTNAMPT
SCHEMBL2571982 0.90 BACE1 (0.41) BACE1HIF1AKITFLT4KDR
SCHEMBL2571979 0.90 BACE1 (0.41) BACE1HIF1AKITFLT4KDR
SCHEMBL3157262 0.90 MAPT (0.48) RXFP1MAPTNAMPTSMN1; SMN2TP53

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