SCHEMBL19984004

SCHEMBL19984004

CNCc1cn([S+]([O-])c2cccnc2)c2cc(Nc3ccc(C)cc3C)ccc12

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TDO2 P48775 1/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HIF1A Q16665 1/20 0.30
NAMPT P43490 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
SCHEMBL16626401 0.91 SLC6A2 (0.37) ALDH1A1HPGDSMN1; SMN2NAMPT
SCHEMBL16626476 0.88
SCHEMBL16626457 0.88 PARP14 (0.33)
SCHEMBL16626477 0.86
SCHEMBL19983881 0.85
SCHEMBL16626424 0.85 MAPK14 (0.36) CYP1A2CYP2C19KDM4EALDH1A1LMNA
SCHEMBL16626370 0.85 MAPK8 (0.35) MEN1KMT2AALDH1A1SMN1; SMN2NAMPT
SCHEMBL16626676 0.85 P2RX7 (0.38)
SCHEMBL16626468 0.84 METAP2 (0.30)
SCHEMBL19983986 0.84 ALDH1A1 (0.31) ALDH1A1

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