SCHEMBL19983942

SCHEMBL19983942

CNCc1cn(Sc2cccc(C(F)(F)F)c2)c2cc(Cc3ccc(C)c(F)c3F)ccc12

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
HPGD P15428 1/20 0.31
XBP1 P17861 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
TNF P01375 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SCN8A Q9UQD0 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
SCHEMBL19983936 0.86 TOP2A (0.32)
SCHEMBL19984212 0.85 SLC6A4 (0.33) KDM4EHPGDXBP1SLC6A2SLC6A4
SCHEMBL19983971 0.80 PDE5A (0.33) KDM4EHPGDXBP1SLC6A4
SCHEMBL16618774 0.80 RORC (0.42) HPGDALDH1A1
SCHEMBL19983937 0.73 MPO (0.37) KDM4EHPGDXBP1SLC6A2SLC6A4
SCHEMBL19984029 0.73 APP (0.35) SLC6A4
SCHEMBL19983825 0.72 CARM1 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL19984022 0.72 AKR1C3 (0.38) ALDH1A1
SCHEMBL19984182 0.72 P2RX7 (0.31)
SCHEMBL16619252 0.71 HTR6 (0.44)

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