SCHEMBL7464386

SCHEMBL7464386

COc1ccc2c(c1)NC(=O)/C2=C(/Nc1cccc(C(C)(C)N)c1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
RXFP1 Q9HBX9 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
NLRP3 Q96P20 1/20 0.41
KCNK9 Q9NPC2 2/20 0.40
KCNK3 O14649 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.39
NR1H4 Q96RI1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
AURKB Q96GD4 1/20 0.38
POLB P06746 2/20 0.38
MAPT P10636 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
MCL1 Q07820 1/20 0.38

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
SCHEMBL5787515 1.00 MEN1 (0.41) MEN1KMT2ARXFP1TDP1NPC1
SCHEMBL5786304 0.87 RET (0.45) RXFP1SMN1; SMN2BRD4
SCHEMBL4504444 0.86 P2RX1 (0.40) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL3141980 0.86 KCNK9 (0.40) MEN1KMT2ARXFP1TDP1NPC1
SCHEMBL5785822 0.86 CHEK1 (0.45) RXFP1KCNK9POLBCTDSP1CHEK1
SCHEMBL4505422 0.86 KDR (0.42) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL3148065 0.84 POLB (0.41) MEN1KMT2ARXFP1KCNK9KCNK3
SCHEMBL4501471 0.84 RXFP1 (0.41) MEN1KMT2ARXFP1NR1H4POLB
SCHEMBL2571373 0.83 RXFP1 (0.46) MEN1KMT2ARXFP1NPC1RAB9A
SCHEMBL6327111 0.81 NPC1 (0.53) MEN1KMT2ARXFP1TDP1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1212318-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-06-12 EP disclosed
WO-2001016130-A1 SUBSTITUTED INDOLINONES AS TYROSINE KINASE INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-08 WO disclosed