SCHEMBL6237876

SCHEMBL6237876

O=c1ccc(-c2ccc(C(F)(F)F)cc2)c[nH]1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.58
SOAT1 P35610 1/20 0.58
KCNH2 Q12809 1/20 0.58
KIF11 P52732 14/20 0.48
NOTUM Q6P988 1/20 0.42
BACE1 P56817 1/20 0.42
TDP2 O95551 1/20 0.41

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
SCHEMBL609810 0.83 DGAT1 (0.45) DGAT1SOAT1KCNH2
SCHEMBL6284522 0.80 DGAT1 (0.52) DGAT1SOAT1KCNH2KIF11NOTUM
SCHEMBL11166567 0.80 KIF11 (0.45) DGAT1SOAT1KCNH2KIF11NOTUM
SCHEMBL11161344 0.77 ERCC1 (0.53) DGAT1SOAT1KCNH2NOTUM
SCHEMBL28025803 0.76 NOTUM (0.46) DGAT1SOAT1KCNH2KIF11NOTUM
SCHEMBL611156 0.75 PDE3B (0.52) DGAT1SOAT1KCNH2KIF11NOTUM
SCHEMBL197238 0.75 KIF11 (0.78) KIF11
SCHEMBL29914837 0.75 KIF11 (0.78) KIF11
SCHEMBL13410633 0.75 KIF11 (0.78) KIF11
SCHEMBL11536096 0.74 ALDH1A1 (0.48) DGAT1SOAT1KCNH2KIF11BACE1

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