SCHEMBL30071213

SCHEMBL30071213

COc1ccc(-c2ccc3cc(C(=O)O)[nH]c3c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 5/20 0.55
PDGFRB P09619 3/20 0.55
PDGFRA P16234 2/20 0.55
EIF4A3 P38919 1/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
RXFP1 Q9HBX9 1/20 0.50
ALPL P05186 1/20 0.50
CA9 Q16790 1/20 0.50
ROCK2 O75116 1/20 0.49
ROCK1 Q13464 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HRH4 Q9H3N8 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
KDM4E B2RXH2 1/20 0.49
MAPT P10636 1/20 0.49
DAO P14920 1/20 0.49

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
SCHEMBL20494459 1.00 FLT3 (0.55) FLT3PDGFRBPDGFRAEIF4A3MEN1
SCHEMBL4263996 0.88 PDGFRB (0.61) FLT3PDGFRBPDGFRAMEN1KMT2A
SCHEMBL335655 0.88 FLT3 (0.68) FLT3PDGFRBPDGFRAEIF4A3MEN1
SCHEMBL30189510 0.88 FLT3 (0.68) FLT3PDGFRBPDGFRAEIF4A3MEN1
SCHEMBL30071254 0.87 NPC1 (0.55) FLT3PDGFRBPDGFRAMEN1KMT2A
SCHEMBL20495078 0.87 NPC1 (0.55) FLT3PDGFRBPDGFRAMEN1KMT2A
SCHEMBL7222628 0.83 PIN1 (0.61) FLT3PDGFRBPDGFRAEIF4A3ALPL
SCHEMBL3389181 0.83 HSD17B10 (0.66) FLT3EIF4A3MEN1KMT2AKDM4E
SCHEMBL20494223 0.81 SMAD3 (0.60) FLT3PDGFRBEIF4A3ALPLKDM4E
SCHEMBL30071340 0.81 SMAD3 (0.60) FLT3PDGFRBEIF4A3ALPLKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110770224-B Indole derivatives as efflux pump inhibitors 罗格斯新泽西州立大学 2022-11-18 CN disclosed