SCHEMBL12970315

SCHEMBL12970315

Cc1cc2cc(F)cc(C)c2[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 5/20 0.47
GRIN3B O60391 5/20 0.47
GRIN1 Q05586 5/20 0.47
GRIN2A Q12879 5/20 0.47
GRIN2B Q13224 5/20 0.47
GRIN2C Q14957 5/20 0.47
GRIN3A Q8TCU5 5/20 0.47
HSD17B10 Q99714 1/20 0.47
BRD4 O60885 7/20 0.44
DAO P14920 2/20 0.40
DDO Q99489 1/20 0.40
ATAD2 Q6PL18 5/20 0.37
GUSB P08236 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
GRIA1 P42261 1/20 0.36
GRIA2 P42262 1/20 0.36
GRIA3 P42263 1/20 0.36
GRIA4 P48058 1/20 0.36
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL12970080 0.86 BRD4 (0.43) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL3361286 0.83 DAO (0.60) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL5973354 0.79 GRIN1 (0.67) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28487705 0.77 KDM4E (0.35) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL28817111 0.76 PDE3B (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL22198970 0.74 HRH4 (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19435615 0.74 BRD4 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL12559601 0.72 DAO (0.71) HSD17B10BRD4DAODDOATAD2
SCHEMBL12970395 0.72 DAO (0.65) HSD17B10BRD4DAODDOATAD2
SCHEMBL4007864 0.71 GRIN1 (0.38) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-2012133607-A1 PYRAZOLE COMPOUND アステラス製薬株式会社 (JP) 2012-10-04 WO disclosed