SCHEMBL7364479

SCHEMBL7364479

O=S(=O)(Cl)c1ccc(C(F)(F)F)cc1-c1ccc(C(F)(F)F)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 10/20 0.46
APP P05067 1/20 0.44
TRPV4 Q9HBA0 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
ALOX5AP P20292 2/20 0.39
FEN1 P39748 2/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
AKR1C3 P42330 1/20 0.38
AKR1C2 P52895 1/20 0.38
SLC22A12 Q96S37 1/20 0.38

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
SCHEMBL14572631 0.83 KIF11 (0.47) KIF11
SCHEMBL31449876 0.78 MCL1 (0.48) PTGDR2
SCHEMBL29907293 0.77 TRPV4 (0.53) KIF11TRPV4
SCHEMBL29374110 0.77 TRPV4 (0.60) TRPV4
SCHEMBL15881879 0.77 TRPV4 (0.44) KIF11APPTRPV4
SCHEMBL25362679 0.77 MCL1 (0.51) KIF11TRPV4
SCHEMBL66378 0.77 TRPV4 (0.53) KIF11TRPV4
SCHEMBL3611597 0.77 TRPV4 (0.60) TRPV4
SCHEMBL30014353 0.77 TRPV4 (0.44) KIF11APPTRPV4
SCHEMBL7865578 0.76 ALOX5AP (0.50) KIF11APPPTGDR2ALOX5APFEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1997046207-A2 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-12-11 WO disclosed
EP-0804464-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1997-11-05 EP disclosed
WO-1996018644-A1 AROMATIC HETEROCYCLIC DERIVATIVES AS ENZYME INHIBITORS CORVAS INTERNATIONAL, INC. (US) 1996-06-20 WO disclosed