SCHEMBL20076355

SCHEMBL20076355

Cc1ccc(C)c(-c2ccc(F)cc2C#N)c1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 5/20 0.37
GRM2 Q14416 1/20 0.36
USP8 P40818 1/20 0.36
USP7 Q93009 1/20 0.36
GABRA1 P14867 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
ACHE P22303 2/20 0.34
SLC22A12 Q96S37 1/20 0.34
AR P10275 2/20 0.34
BIRC5 O15392 1/20 0.34

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
SCHEMBL20076657 0.84 PLA2G7 (0.41) HSP90AB1GABRA1GABRG2GABRB3GABRA5
SCHEMBL21116203 0.82 USP8 (0.42) USP8USP7GABRA1GABRG2GABRB3
SCHEMBL25488177 0.80 ACHE (0.48) ACHE
SCHEMBL9374553 0.79 AR (0.46) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL10094673 0.78 TSHR (0.47) USP8USP7GABRG2GABRB3GABRA5
SCHEMBL101523 0.78 TSHR (0.48) HSP90AB1SLC22A12AR
SCHEMBL30283688 0.78 TSHR (0.48) HSP90AB1SLC22A12AR
SCHEMBL3478696 0.78 GRM2 (0.48) HSP90AB1GRM2USP8USP7AR
SCHEMBL29993589 0.77 TSHR (0.50) GRM2USP8USP7GABRA1GABRG2
SCHEMBL1133478 0.77 TSHR (0.50) GRM2USP8USP7GABRA1GABRG2

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-2018071327-A1 MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO DOW AGROSCIENCES LLC (US) 2018-04-19 WO disclosed