SCHEMBL7494572

SCHEMBL7494572

N#Cc1ccc2c(c1)/C(=C(/Nc1ccc(Cl)cc1)c1ccccc1)C(=O)N2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.42
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NLRP3 Q96P20 1/20 0.42
KDR P35968 6/20 0.42
SIRT2 Q8IXJ6 2/20 0.40
TP53 P04637 2/20 0.40
MDM2 Q00987 1/20 0.40
F2 P00734 1/20 0.40
PLG P00747 1/20 0.40
PLAU P00749 1/20 0.40
KLKB1 P03952 1/20 0.40
PRSS1 P07477 1/20 0.40
TMPRSS4 Q9NRS4 1/20 0.39
MET P08581 1/20 0.39
TLK2 Q86UE8 2/20 0.39
PDPK1 O15530 1/20 0.39
MEN1 O00255 1/20 0.38
ESR1 P03372 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
SCHEMBL7492390 0.92 KDR (0.43) MAPTKDRF2PLGPLAU
SCHEMBL7491267 0.90 MAPT (0.43) MAPTKDRTP53F2PLG
SCHEMBL7493323 0.90 POLB (0.48) MAPTTSHRLMNAHTTNLRP3
SCHEMBL7493315 0.89 CNR1 (0.45) MAPTTSHRLMNAHTTNLRP3
SCHEMBL4504432 0.87 TMPRSS4 (0.44) MAPTTSHRLMNAHTTNLRP3
SCHEMBL4504429 0.87 TMPRSS4 (0.44) MAPTTSHRLMNAHTTNLRP3
SCHEMBL7088689 0.85 KDR (0.44) MAPTKDRF2PLGPLAU
SCHEMBL7088684 0.85 KDR (0.44) MAPTKDRF2PLGPLAU
SCHEMBL6319407 0.84 KDR (0.55) MAPTHTTKDRF2PLG
SCHEMBL6321013 0.84 KDR (0.55) MAPTHTTKDRF2PLG

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-1224169-A2 PRODUCTION OF 5-SUBSTITUTED INDOLINONES AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma KG (DE) 2002-07-24 EP disclosed
WO-2001027080-A2 5-SUBSTITUTED INDOLINONES AND USE THEREOF AS KINASE AND CYCLIN/CDK COMPLEX INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-04-19 WO disclosed