SCHEMBL5670993

SCHEMBL5670993

c1cnc(-c2cc3ccccc3s2)c([In](c2cccnc2-c2cc3ccccc3s2)c2cccnc2-c2cc3ccccc3s2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.47
PIK3CA P42336 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CB P42338 1/20 0.43
PIK3CG P48736 1/20 0.43
PRKDC P78527 1/20 0.43
APP P05067 2/20 0.41
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
FGFR1 P11362 1/20 0.39
IKBKB O14920 2/20 0.38
HSD17B1 P14061 1/20 0.38
HSD17B2 P37059 1/20 0.38
PLAU P00749 1/20 0.38
MAPKAPK2 P49137 1/20 0.37
KDM1A O60341 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37

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
SCHEMBL15260648 0.81 CYP19A1 (0.49) CYP19A1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29986368 0.79 CYP19A1 (0.48) CYP19A1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29177680 0.79 CYP19A1 (0.48) CYP19A1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL28401036 0.79 CYP19A1 (0.48) CYP19A1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL1116176 0.78 CYP19A1 (0.47) CYP19A1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL5934872 0.76 CYP19A1 (0.45) CYP19A1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL3048215 0.76 CYP19A1 (0.48) CYP19A1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL2877899 0.75 KDM4E (0.56) CYP19A1APPIKBKBPLAUCA1
SCHEMBL2581028 0.74 CYP19A1 (0.64) CYP19A1PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL30578722 0.74 NQO1 (0.49) CYP19A1PIK3CAPIK3CDPIK3CBPIK3CG

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
US-20060029828-A1 Organic electroluminescent device SANYO ELECTRIC CO., LTD. (JP) 2006-02-09 US disclosed