SCHEMBL8917242

SCHEMBL8917242

O=S(=O)(Nn1ncc2ccc3cc(Cl)ccc3c21)c1cccc(C(F)F)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.34
SCN9A Q15858 4/20 0.33
S1PR1 P21453 2/20 0.32
FBP1 P09467 1/20 0.32
SCN5A Q14524 2/20 0.32
NLRP3 Q96P20 1/20 0.31
KDM1A O60341 1/20 0.31
HTR6 P50406 1/20 0.31
PKM P14618 2/20 0.30
CA2 P00918 1/20 0.30
ALDH1A1 P00352 1/20 0.30
SLC40A1 Q9NP59 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 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
SCHEMBL8921166 0.89 CA2 (0.33) SCN9AFBP1NLRP3CA2SLC40A1
SCHEMBL8917749 0.88 FBP1 (0.32) FBP1CA2
SCHEMBL8917277 0.84 TRPV4 (0.34) FBP1ALDH1A1
SCHEMBL8918872 0.84 KDM1A (0.45) S1PR1KDM1AHTR6CA2SLC40A1
SCHEMBL8918537 0.75 FBP1 (0.33) FBP1ALDH1A1
SCHEMBL8919620 0.74 MAPT (0.34)
SCHEMBL8916660 0.73 SGK1 (0.33) CNR1CNR2
SCHEMBL8916271 0.72 CA1 (0.43) HTR6CA2ALDH1A1SLC40A1
SCHEMBL8916161 0.72 NR3C1 (0.44) PGRKDM1ACA2ALDH1A1SLC40A1
SCHEMBL8917772 0.71 CA1 (0.43) PGRSCN9ASCN5AKDM1AHTR6

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
US-5696143-A ARTHRITIS THERAPY G.D. SEARLE & CO. 1997-12-09 US disclosed