SCHEMBL19984136

SCHEMBL19984136

CNCc1cn([S+]([O-])c2cccnc2)c2cc(Nc3ccc(F)c(F)c3)ccc12

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.39
MAPT P10636 1/20 0.39
PABPC1 P11940 1/20 0.39
KMT2A Q03164 1/20 0.39
APP P05067 1/20 0.33
MET P08581 1/20 0.32
CDK2 P24941 1/20 0.32
GSK3B P49841 1/20 0.32
EGFR P00533 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
METAP2 P50579 1/20 0.31
NAMPT P43490 1/20 0.31
HTR2C P28335 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 0.90 EGFR (0.33) EGFR
SCHEMBL16626693 0.89 TBXAS1 (0.31) MEN1MAPTPABPC1KMT2AEGFR
SCHEMBL19984214 0.89 MEN1 (0.32) MEN1MAPTKMT2AEGFRNAMPT
SCHEMBL16626424 0.88 MAPK14 (0.36) MAPTNAMPT
SCHEMBL16626468 0.86 METAP2 (0.30) METAP2
SCHEMBL19983986 0.86 ALDH1A1 (0.31) EGFR
SCHEMBL19984086 0.85 EGFR (0.34) EGFRHTR2C
SCHEMBL16626477 0.85
SCHEMBL16626730 0.85 EGFR (0.38) MEN1MAPTKMT2AEGFRNAMPT
SCHEMBL16626459 0.85 GAA (0.39) MEN1MAPTKMT2ACDK2GSK3B

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