SCHEMBL20826225

SCHEMBL20826225

CCc1cc(C(C)(C)F)ccc1C

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.45
▸ ESR1 P03372 9/20 0.42
▸ ESR2 Q92731 6/20 0.42
▸ AR P10275 2/20 0.36
▸ HSD11B1 P28845 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ DAO P14920 1/20 0.33
▸ KLF10 Q13118 1/20 0.32
▸ VDR P11473 2/20 0.32
▸ GABRA1 P14867 1/20 0.31
▸ GABRB2 P47870 1/20 0.31

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
SCHEMBL26939102 0.88 KIF11 (0.45) KIF11ESR1ESR2ARHSD11B1
SCHEMBL10268650 0.86 KIF11 (0.46) KIF11ESR1ESR2S1PR1DAO
SCHEMBL20811702 0.86 DAO (0.40) KIF11ESR1ESR2ARHSD11B1
SCHEMBL29335336 0.83 KIF11 (0.47) KIF11ESR1ESR2AR
SCHEMBL21101914 0.80 RXRA (0.36) KIF11ESR1ESR2KLF10
SCHEMBL18899605 0.80 ESR1 (0.46) KIF11ESR1ESR2ARKLF10
SCHEMBL15746150 0.79 KIF11 (0.42) KIF11ESR1ESR2ARHSD11B1
SCHEMBL23592890 0.78 ALDH1A1 (0.40) KIF11ESR1ESR2ARHSD11B1
SCHEMBL10304793 0.76 KIF11 (0.48) KIF11
SCHEMBL20717777 0.74 ESR1 (0.62) KIF11ESR1ESR2ARKLF10

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-2019055590-A1 BISAMIDE SARCOMERE ACTIVATING COMPOUNDS AND USES THEREOF AMGEN INC. (US) 2019-03-21 — — WO disclosed
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