SCHEMBL16626676

SCHEMBL16626676

CNCc1cn([S+]([O-])c2cccnc2)c2cc(Nc3cc(-c4ccccc4)ccc3C)ccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.38
PRKCA P17252 2/20 0.33
RIPK2 O43353 1/20 0.33
RET P07949 1/20 0.33
KDR P35968 1/20 0.33
MAPK14 Q16539 1/20 0.33
EPHX2 P34913 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
ABL1 P00519 2/20 0.32
PDGFRB P09619 2/20 0.32
BCR P11274 2/20 0.32
PDGFRA P16234 2/20 0.32
EGFR P00533 1/20 0.32
HTR2C P28335 1/20 0.31
ALK Q9UM73 1/20 0.30
JAK2 O60674 1/20 0.30
LRRK2 Q5S007 1/20 0.30
MAP4K4 O95819 1/20 0.30
TGFBR1 P36897 1/20 0.30
CHEK1 O14757 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
SCHEMBL19984004 0.85 MEN1 (0.32)
SCHEMBL16626457 0.85 PARP14 (0.33)
SCHEMBL16626370 0.84 MAPK8 (0.35) MAPK14HTR2C
SCHEMBL16626401 0.83 SLC6A2 (0.37) P2RX7
SCHEMBL16626476 0.83
SCHEMBL16626477 0.82
SCHEMBL16626672 0.81 ALDH1A1 (0.35) HTR2C
SCHEMBL19983986 0.81 ALDH1A1 (0.31) EGFR
SCHEMBL16626468 0.81 METAP2 (0.30)
SCHEMBL16626453 0.81

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