SCHEMBL3148593

SCHEMBL3148593

COC(=O)c1ccc2c(c1)NC(=O)/C2=C(\Nc1ccc(CNC(C)=O)cc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 1/20 0.42
HIF1A Q16665 2/20 0.41
MAPT P10636 3/20 0.40
NAMPT P43490 3/20 0.40
DRD2 P14416 1/20 0.40
PDPK1 O15530 1/20 0.40
AKT2 P31751 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
BACE1 P56817 1/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
CASP1 P29466 1/20 0.38
TP53 P04637 2/20 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
SCHEMBL3148605 1.00 PTPN1 (0.42) PTPN1HIF1AMAPTNAMPTDRD2
SCHEMBL479564 0.92 HIF1A (0.40) PTPN1HIF1AMAPTNAMPTDRD2
SCHEMBL479562 0.92 HIF1A (0.40) PTPN1HIF1AMAPTNAMPTDRD2
SCHEMBL2568535 0.92 MAPT (0.52) PTPN1MAPTNAMPTKMT2AMEN1
SCHEMBL2568531 0.92 MAPT (0.52) PTPN1MAPTNAMPTKMT2AMEN1
SCHEMBL3145182 0.92 HIF1A (0.40) PTPN1HIF1AMAPTNAMPTDRD2
SCHEMBL3145197 0.92 HIF1A (0.40) PTPN1HIF1AMAPTNAMPTDRD2
SCHEMBL2121394 0.91 MAPT (0.47) HIF1AMAPTPDPK1KMT2AMEN1
SCHEMBL2121400 0.91 MAPT (0.47) HIF1AMAPTPDPK1KMT2AMEN1
SCHEMBL3713252 0.91 MAPT (0.47) HIF1AMAPTPDPK1KMT2AMEN1

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 3 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
US-6762180-B1 Substituted indolines which inhibit receptor tyrosine kinases BOEHRINGER INGELHEIM PHARMA KG (DE) 2004-07-13 US disclosed