SCHEMBL3141980

SCHEMBL3141980

CC(C)(N)c1cccc(N/C(=C2\C(=O)Nc3cc(C(=O)O)ccc32)c2ccccc2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK9 Q9NPC2 1/20 0.40
NR1H4 Q96RI1 4/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
NOX1 Q9Y5S8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MCL1 Q07820 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
KDR P35968 1/20 0.38
PPARG P37231 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
AKR1C3 P42330 1/20 0.37

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
SCHEMBL3148065 0.91 POLB (0.41) KCNK9MEN1KMT2APOLBMAPT
SCHEMBL3157920 0.90 BACE1 (0.42) KCNK9NR1H4MEN1KMT2ARAB9A
SCHEMBL2571373 0.88 RXFP1 (0.46) MEN1KMT2APOLBRAB9ANPC1
SCHEMBL5785822 0.88 CHEK1 (0.45) KCNK9POLBCTDSP1KDRRXFP1
SCHEMBL4505422 0.88 KDR (0.42) KCNK9MEN1KMT2APOLBRAB9A
SCHEMBL4504444 0.88 P2RX1 (0.40) KCNK9NR1H4MEN1KMT2APOLB
SCHEMBL7464386 0.86 MEN1 (0.41) KCNK9NR1H4MEN1KMT2APOLB
SCHEMBL5787515 0.86 MEN1 (0.41) KCNK9NR1H4MEN1KMT2APOLB
SCHEMBL20710161 0.86 BACE1 (0.46) MEN1KMT2AKDRALDH1A1GSK3B
SCHEMBL4501471 0.85 RXFP1 (0.41) NR1H4MEN1KMT2APOLBMAPT

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