SCHEMBL7967550

SCHEMBL7967550

CSc1n[nH]c(Nc2c(Cl)cc(C(F)(F)F)cc2Cl)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRP O00591 18/20 0.50
GABRD O14764 18/20 0.50
GABRA1 P14867 18/20 0.50
GABRB1 P18505 18/20 0.50
GABRG2 P18507 18/20 0.50
GABRB3 P28472 18/20 0.50
GABRA5 P31644 18/20 0.50
GABRA3 P34903 18/20 0.50
GABRA2 P47869 18/20 0.50
GABRB2 P47870 18/20 0.50
GABRA4 P48169 18/20 0.50
GABRE P78334 18/20 0.50
GABRA6 Q16445 18/20 0.50
GABRG1 Q8N1C3 18/20 0.50
GABRG3 Q99928 18/20 0.50
GABRQ Q9UN88 18/20 0.50

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
SCHEMBL7970220 0.90 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7972588 0.86 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7957547 0.86 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7970651 0.82 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7970275 0.82 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7956709 0.81 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7969715 0.80 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7966892 0.78 GABRP (0.53) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7966479 0.77 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7956901 0.77 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