SCHEMBL28833070

SCHEMBL28833070

CSc1cc(C)n(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 19/20 0.72
GABRA2 P47869 18/20 0.72
GABRB2 P47870 18/20 0.72
GABRP O00591 16/20 0.72
GABRD O14764 16/20 0.72
GABRA1 P14867 16/20 0.72
GABRB1 P18505 16/20 0.72
GABRG2 P18507 16/20 0.72
GABRA5 P31644 16/20 0.72
GABRA3 P34903 16/20 0.72
GABRA4 P48169 16/20 0.72
GABRE P78334 16/20 0.72
GABRA6 Q16445 16/20 0.72
GABRG1 Q8N1C3 16/20 0.72
GABRG3 Q99928 16/20 0.72
GABRQ Q9UN88 16/20 0.72
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48

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
SCHEMBL6976717 0.81 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10698854 0.80 GABRB3 (0.50) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL27772986 0.79 GABRB3 (0.49) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL14996611 0.79 GABRB3 (0.52) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768161 0.73 GABRB3 (0.57) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7713492 0.73 GABRP (0.66) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL7967758 0.73 GABRP (0.78) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL15287105 0.73 GABRB3 (0.52) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768186 0.72 GABRP (0.57) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6927865 0.71 GABRP (1.00) GABRB3GABRA2GABRB2GABRPGABRD

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
CN-103483260-B 1-aryl-5-alkylpyrazole derivative compounds, methods of making and methods of use thereof 梅瑞尔公司 2016-08-03 CN disclosed