SCHEMBL19984086

SCHEMBL19984086

CNCc1cn([S+]([O-])c2cccnc2)c2cc(Nc3c(Cl)cc(Cl)cc3Cl)ccc12

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
MAP3K8 P41279 4/20 0.32
HTR2C P28335 1/20 0.31
MAPK13 O15264 1/20 0.31
EIF2AK2 P19525 1/20 0.31
MAPK12 P53778 1/20 0.31
MAPK11 Q15759 1/20 0.31
MAPK14 Q16539 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
SCHEMBL19984214 0.91 MEN1 (0.32) EGFRSLC6A2SLC6A4HTR2C
SCHEMBL16626370 0.88 MAPK8 (0.35) HTR2CMAPK14
SCHEMBL16626715 0.87 GRM4 (0.33) EGFRHTR2C
SCHEMBL16626433 0.86 EGFR (0.33) EGFRMAP3K8MAPK13EIF2AK2MAPK12
SCHEMBL16626499 0.86 DOT1L (0.31) EGFR
SCHEMBL19984136 0.85 MEN1 (0.39) EGFRHTR2C
SCHEMBL16626401 0.85 SLC6A2 (0.37) SLC6A2SLC6A4
SCHEMBL19983986 0.85 ALDH1A1 (0.31) EGFR
SCHEMBL16626694 0.84
SCHEMBL19983730 0.84

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