SCHEMBL10180502

SCHEMBL10180502

CN(c1ccc(C(F)(F)F)cc1)c1ccc(Oc2ccc3c(c2)cc(C(=O)N2CCN(Cc4ccc5c(c4)OCO5)CC2)n3C)nc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 16/20 0.53
PIK3CA P42336 1/20 0.51
PRKAA2 P54646 1/20 0.51
USP2 O75604 1/20 0.47
HPGD P15428 1/20 0.47
SCN9A Q15858 2/20 0.45

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
Bromide SCHEMBL3065084 0.99 STAT3 (0.53) STAT3PIK3CAPRKAA2USP2HPGD
SCHEMBL15295489 0.93 STAT3 (0.52) STAT3PIK3CAPRKAA2USP2HPGD
Bromide SCHEMBL3066691 0.93 STAT3 (0.52) STAT3PIK3CAPRKAA2USP2HPGD
Hydrochloric Acid SCHEMBL3061098 0.91 STAT3 (0.50) STAT3PIK3CAPRKAA2USP2HPGD
Bromide SCHEMBL3067802 0.90 STAT3 (0.51) STAT3PIK3CAPRKAA2USP2HPGD
Hydrochloric Acid SCHEMBL3062529 0.90 STAT3 (0.49) STAT3PIK3CAPRKAA2USP2HPGD
SCHEMBL3706315 0.89 STAT3 (0.55) STAT3PIK3CAPRKAA2SCN9A
Bromide SCHEMBL3050200 0.89 STAT3 (0.47) STAT3PIK3CAPRKAA2USP2HPGD
SCHEMBL10180854 0.89 MEN1 (0.49) STAT3USP2HPGD
Bromide SCHEMBL3052222 0.89 STAT3 (0.49) STAT3PIK3CAPRKAA2

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-2207773-B1 HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF OTSUKA PHARMA CO LTD (JP) 2012-07-11 EP disclosed