SCHEMBL6236816

SCHEMBL6236816

Nc1ccc(-c2ccc(C(F)(F)F)c(F)c2)s1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 13/20 0.59
CYP11B2 P19099 5/20 0.43
CYP11B1 P15538 3/20 0.43
MPL P40238 1/20 0.41
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40

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
SCHEMBL21116892 0.77 KIF11 (0.76) KIF11CYP11B2CYP11B1
SCHEMBL6239140 0.76 KIF11 (0.60) KIF11PTGS1PTGS2
SCHEMBL3903111 0.74 KIF11 (0.72) KIF11CYP11B2CYP11B1
SCHEMBL3899619 0.74 KIF11 (1.00) KIF11CYP11B2CYP11B1
SCHEMBL9428728 0.74 KIF11 (0.52) KIF11
SCHEMBL3896158 0.74 KIF11 (0.72) KIF11CYP11B2CYP11B1
SCHEMBL3895116 0.71 KIF11 (0.68) KIF11CYP11B2CYP11B1PTGS1PTGS2
SCHEMBL22834330 0.71 APP (0.50)
SCHEMBL25165736 0.71 KIF11 (0.42) KIF11CYP11B2CYP11B1
SCHEMBL24342416 0.70 TSHR (0.50) KIF11

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
WO-2005005382-A2 COMPOUNDS, COMPOSITIONS AND METHODS CYTOKINETICS, INC. (US) 2005-01-20 WO disclosed