SCHEMBL16626424

SCHEMBL16626424

CNCc1cn([S+]([O-])c2cccnc2)c2cc(Nc3ccc(F)cc3F)ccc12

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.36
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.32
NPC1 O15118 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TBXAS1 P24557 1/20 0.31
SOS1 Q07889 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
POLB P06746 1/20 0.30
NAMPT P43490 1/20 0.30
MAPT P10636 1/20 0.30
THRB P10828 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
SCHEMBL16626693 0.93 TBXAS1 (0.31) ALDH1A1TBXAS1NAMPTMAPT
SCHEMBL19984136 0.88 MEN1 (0.39) NAMPTMAPT
SCHEMBL16626477 0.87
SCHEMBL16626468 0.87 METAP2 (0.30)
SCHEMBL16626433 0.87 EGFR (0.33) MAPK14
SCHEMBL19983881 0.86
SCHEMBL19983811 0.86
SCHEMBL19984004 0.85 MEN1 (0.32) ALDH1A1LMNAKDM4ECYP1A2CYP2C19
SCHEMBL16626476 0.85
SCHEMBL19983986 0.85 ALDH1A1 (0.31) ALDH1A1TBXAS1

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-2015050412-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-09 WO disclosed