SCHEMBL20400950

SCHEMBL20400950

O=C(O)c1ccc(N(Cc2ccc(C3CCCCC3)nc2)C(=O)C(F)(F)F)cc1OCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 18/20 0.48
STAT1 P42224 1/20 0.36
SGMS2 Q8NHU3 1/20 0.36

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
SCHEMBL29447476 0.93 STAT3 (0.43) STAT3SGMS2
SCHEMBL20418435 0.93 STAT3 (0.43) STAT3SGMS2
SCHEMBL20418605 0.92 STAT3 (0.50) STAT3SGMS2
SCHEMBL29447516 0.92 STAT3 (0.50) STAT3SGMS2
SCHEMBL20401103 0.88 STAT3 (0.52) STAT3STAT1
SCHEMBL20400869 0.84 STAT3 (0.49) STAT3
SCHEMBL29447631 0.82 STAT3 (0.41) STAT3SGMS2
SCHEMBL29447575 0.82 STAT3 (0.42) STAT3SGMS2
SCHEMBL28434204 0.82 STAT3 (0.41) STAT3SGMS2
SCHEMBL28439969 0.82 STAT3 (0.42) STAT3SGMS2

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-2018136935-A1 2-ARYLSULFONAMIDO-N-ARYLACETAMIDE DERIVATIZED STAT3 INHIBITORS UNIVERSITY OF HAWAII (US) 2018-07-26 WO disclosed