SCHEMBL19983946

SCHEMBL19983946

CNCc1cn(Sc2ccc(OC(F)(F)F)cc2)c2cc(Nc3ccc(C(F)(F)F)cc3Cl)ccc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.38
HTR2A P28223 4/20 0.38
KCNH2 Q12809 4/20 0.38
CHRNA7 P36544 1/20 0.35
MAPK8 P45983 1/20 0.33
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
ABL1 P00519 4/20 0.32
BCR P11274 4/20 0.32
MRGPRX4 Q96LA9 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FBP1 P09467 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
SCHEMBL19984279 0.86 SLC6A4 (0.35) SLC6A4HTR2AKCNH2SLC6A2SLC6A3
SCHEMBL19984021 0.85 GAK (0.40) SLC6A4HTR2AKCNH2MRGPRX4KDM4E
SCHEMBL19984163 0.85 FADS1 (0.36) SLC6A4HTR2AKCNH2MRGPRX4SLC6A2
SCHEMBL19983885 0.83 FBP1 (0.39) SLC6A4HTR2AKCNH2ABL1BCR
SCHEMBL16626075 0.83 HTR6 (0.42) SLC6A4HTR2AKCNH2EPHX2NR1H4
Hydrochloric Acid SCHEMBL16619305 0.82 HTR6 (0.42) SLC6A4HTR2AKCNH2EPHX2NR1H4
SCHEMBL19983775 0.82 EGFR (0.34) FBP1
SCHEMBL19983791 0.81 KDR (0.33) SLC6A4HTR2AKCNH2
SCHEMBL19984029 0.81 APP (0.35) SLC6A4HTR2AKCNH2MRGPRX4
SCHEMBL16626755 0.78 FBP1 (0.41) SLC6A4HTR2AKCNH2MRGPRX4FBP1

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