SCHEMBL2012015

SCHEMBL2012015

O=C(O)c1ncc2ccccc2c1Cc1cccc(F)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.44
SRC P12931 1/20 0.41
BRS3 P32247 1/20 0.41
NR4A2 P43354 2/20 0.40
TRPM8 Q7Z2W7 1/20 0.39
POLB P06746 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
GPR35 Q9HC97 1/20 0.39

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
SCHEMBL2016548 0.86 MAPK1 (0.50)
SCHEMBL6060396 0.72 NPC1 (0.40) NR4A2
SCHEMBL28105342 0.70 HCAR2 (0.52) HCAR2BRS3NR4A2
SCHEMBL3226195 0.69 NR4A2 (0.54) HCAR2BRS3NR4A2KDM5AKDM4C
SCHEMBL3121450 0.68 HTR2C (0.42) SRC
SCHEMBL8882366 0.68 ALDH1A1 (0.48) NR4A2
SCHEMBL9938749 0.68 HCAR2 (0.57) HCAR2BRS3NR4A2KDM5AKDM4C
SCHEMBL29442799 0.68 HCAR2 (0.57) HCAR2BRS3NR4A2KDM5AKDM4C
SCHEMBL27651389 0.68 LMNA (0.45) NR4A2
SCHEMBL902011 0.68 HCAR2 (0.44) HCAR2NR4A2POLBKDM5AKDM4C

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
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 WO disclosed