SCHEMBL16626766

SCHEMBL16626766

CNCc1cn([S+]([O-])c2cccnc2)c2cc(-c3cccnc3C(F)(F)F)ccc12

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 13/20 0.40
SCN9A Q15858 2/20 0.34
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
CLK4 Q9HAZ1 1/20 0.32
GRM2 Q14416 1/20 0.32
DHODH Q02127 1/20 0.31
NR1D1 P20393 1/20 0.31

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
SCHEMBL16626586 0.82 EPHX2 (0.38) METAP2USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL16626086 0.81 GRIN2B (0.38) METAP2
SCHEMBL16626590 0.80 L3MBTL1 (0.33) USP2ALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL19984151 0.79
SCHEMBL19984008 0.78
SCHEMBL17971568 0.78 METAP2 (0.41) METAP2SCN9ANR1D1
SCHEMBL16626466 0.78 METAP2 (0.31) METAP2
Hydrochloric Acid SCHEMBL16618831 0.78 METAP2 (0.41) METAP2SCN9ANR1D1
SCHEMBL16626468 0.77 METAP2 (0.30) METAP2
SCHEMBL16626457 0.77 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
WO-2015050412-A1 SULFONYLINDOLE DERIVATIVES AND METHOD FOR PREPARING THE SAME DAEWOONG PHARMACEUTICAL CO., LTD. (KR) 2015-04-09 WO disclosed