SCHEMBL3124602

SCHEMBL3124602

CC(=O)c1cc(C#Cc2ccccc2)c(N2CCOCC2)s1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.51
BRD4 O60885 1/20 0.46
PDE2A O00408 1/20 0.45
CHRNA7 P36544 3/20 0.44
CHRNA1 P02708 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR3A P46098 1/20 0.44
ALDH1A1 P00352 3/20 0.44
PIK3R1 P27986 1/20 0.42
PIK3CA P42336 1/20 0.42
MAPT P10636 2/20 0.42
ALOX15 P16050 2/20 0.42
GRM5 P41594 3/20 0.41
PLAUR Q03405 1/20 0.40
PRKDC P78527 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 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
SCHEMBL3125982 0.84 ALDH1A1 (0.46) HSD17B10BRD4PDE2ACHRNA7CHRNA1
SCHEMBL3121980 0.84 HSD17B10 (0.46) HSD17B10BRD4PDE2ACHRNA7CHRNA1
SCHEMBL3241547 0.80 BRD4 (0.47) HSD17B10BRD4PDE2AALDH1A1MAPT
SCHEMBL3129080 0.80 BRD4 (0.43) HSD17B10BRD4PDE2ACHRNA7CHRNA1
SCHEMBL3129083 0.78 BRD4 (0.43) HSD17B10BRD4PDE2ACHRNA7CHRNA1
SCHEMBL3124608 0.77 BRD4 (0.45) HSD17B10BRD4PDE2AALDH1A1GRM5
SCHEMBL3265059 0.76 PIK3CA (0.43) HSD17B10BRD4CHRNA7CHRNA1CHRNA3
SCHEMBL3119485 0.72 PIK3CA (0.48) HSD17B10BRD4PDE2ACHRNA7CHRNA1
SCHEMBL3121821 0.71 PIK3CA (0.44) HSD17B10CHRNA7CHRNA1CHRNA3CHRNA4
SCHEMBL3130106 0.71 PIK3CA (0.48) HSD17B10BRD4CHRNA7CHRNA1CHRNA3

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-2010001126-A1 THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2010-01-07 WO disclosed