SCHEMBL7956709

SCHEMBL7956709

CSc1n[nH]c(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1-c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRP O00591 19/20 0.54
GABRD O14764 19/20 0.54
GABRA1 P14867 19/20 0.54
GABRB1 P18505 19/20 0.54
GABRG2 P18507 19/20 0.54
GABRB3 P28472 19/20 0.54
GABRA5 P31644 19/20 0.54
GABRA3 P34903 19/20 0.54
GABRA2 P47869 19/20 0.54
GABRB2 P47870 19/20 0.54
GABRA4 P48169 19/20 0.54
GABRE P78334 19/20 0.54
GABRA6 Q16445 19/20 0.54
GABRG1 Q8N1C3 19/20 0.54
GABRG3 Q99928 19/20 0.54
GABRQ Q9UN88 19/20 0.54

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
SCHEMBL7967550 0.81 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7970280 0.76 GABRP (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7966297 0.76 GABRP (0.51) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2139259 0.74 KIF11 (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL28740482 0.72 SMN1; SMN2 (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7970220 0.71 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6928213 0.70 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7957547 0.69 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7972588 0.69 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4436528 0.68 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001007413-A1 1-ARYL-3-THIOALKYL PYRAZOLES, THE SYNTHESIS THEREOF AND THE USE THEREOF AS INSECTICIDES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-02-01 WO claimed
WO-2001007413-A1 1-ARYL-3-THIOALKYL PYRAZOLES, THE SYNTHESIS THEREOF AND THE USE THEREOF AS INSECTICIDES 3-DIMENSIONAL PHARMACEUTICALS, INC. (US) 2001-02-01 WO disclosed