SCHEMBL29856264

SCHEMBL29856264

CCc1cc2cc(OC)ncc2n1C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
ACSS2 Q9NR19 1/20 0.37
ROCK1 Q13464 1/20 0.34
DHFR P00374 1/20 0.34
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CRHR1 P34998 1/20 0.32
ACVR2A P27037 1/20 0.32
TGFBR2 P37173 1/20 0.32
PDE10A Q9Y233 3/20 0.32
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
NNMT P40261 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MC4R P32245 1/20 0.30

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
SCHEMBL2330766 0.71 L3MBTL1 (0.58) MAPTPIK3CANNMTKDM4E
SCHEMBL17680565 0.70 MAOA (0.59) MAPTMAOAMAOBKDM4E
SCHEMBL25960452 0.69 MAPT (0.40) MAPTACSS2NNMTKDM4E
SCHEMBL15242237 0.68 PIK3CB (0.59) MAPTACSS2KDM4E
SCHEMBL29856207 0.68 MAPT (0.44) MAPTDHFRPDE10AKDM4E
SCHEMBL16452837 0.67 MAPT (0.50) MAPTDHFR
SCHEMBL3750423 0.66 GPR35 (0.58) ACSS2ROCK1KDM4E
SCHEMBL25460382 0.66 LOXL2 (0.48) MAPT
SCHEMBL29856253 0.65 ERN1 (0.35) MAPTACSS2CRHR1NNMT
SCHEMBL24110443 0.65 MAPT (0.45) MAPTACSS2PIK3CA

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-2022169974-A1 INHIBITORS OF URAT1 AND PHARMACEUTICAL USES THEREOF NEXYS THERAPEUTICS, INC. (US) 2022-08-11 WO disclosed