SCHEMBL14463302

SCHEMBL14463302

Cc1ccc(-c2cc3ccccc3s2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 2/20 0.56
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
FYN P06241 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
PIK3CB P42338 1/20 0.47
PI4KA P42356 1/20 0.47
PIK3CG P48736 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
HSD17B1 P14061 1/20 0.46
HSD17B2 P37059 1/20 0.46
ERN1 O75460 2/20 0.46
GRIN2B Q13224 1/20 0.44
S1PR1 P21453 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
CYP19A1 P11511 1/20 0.42

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
SCHEMBL23555730 0.82 PIK3CD (0.50) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL27159530 0.80 APP (0.81) APPCA1CA2CA9HSD17B1
SCHEMBL32677328 0.80 APP (0.81) APPCA1CA2CA9HSD17B1
SCHEMBL8338272 0.79 APP (0.68) APPCA1CA2CA9HSD17B1
SCHEMBL14934097 0.78 FYN (0.47) APPCA1CA2CA9FYN
SCHEMBL1133139 0.76 HDAC3 (0.56) APPCA1CA2CA9PIK3CD
SCHEMBL6292529 0.75 APP (0.68) APPCA1CA2CA9HSD17B1
SCHEMBL27430959 0.75 APP (0.67) APPCA1CA2CA9HSD17B1
SCHEMBL5768436 0.74 APP (0.72) APPCA1CA2CA9HSD17B1
SCHEMBL28813263 0.74 APP (0.67) APPCA1CA2CA9HSD17B1

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
EP-1403250-B1 BIS(5-ARYL-2-PYRIDYL) DERIVATIVE KOWA CO (JP) 2007-07-18 EP disclosed