SCHEMBL19983986

SCHEMBL19983986

CNCc1cn([S+]([O-])c2cccnc2)c2cc(Nc3c(C)cc(F)cc3C)ccc12

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
EGFR P00533 1/20 0.30
TBXAS1 P24557 1/20 0.30

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
SCHEMBL16626433 0.89 EGFR (0.33) EGFR
SCHEMBL19984136 0.86 MEN1 (0.39) EGFR
SCHEMBL16626499 0.85 DOT1L (0.31) EGFR
SCHEMBL16626693 0.85 TBXAS1 (0.31) ALDH1A1EGFRTBXAS1
SCHEMBL16626424 0.85 MAPK14 (0.36) ALDH1A1TBXAS1
SCHEMBL19984086 0.85 EGFR (0.34) EGFR
SCHEMBL16626477 0.84
SCHEMBL16626468 0.84 METAP2 (0.30)
SCHEMBL19984004 0.84 MEN1 (0.32) ALDH1A1
SCHEMBL16626457 0.84 PARP14 (0.33)

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-3052484-B1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAE WOONG PHARMA (KR) 2018-03-21 EP disclosed