SCHEMBL8950631

SCHEMBL8950631

CCc1ccc(C2SCC(C(C)(C)C)CS2)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRP O00591 16/20 0.41
GABRD O14764 16/20 0.41
GABRA1 P14867 16/20 0.41
GABRB1 P18505 16/20 0.41
GABRG2 P18507 16/20 0.41
GABRB3 P28472 16/20 0.41
GABRA5 P31644 16/20 0.41
GABRA3 P34903 16/20 0.41
GABRA2 P47869 16/20 0.41
GABRB2 P47870 16/20 0.41
GABRA4 P48169 16/20 0.41
GABRE P78334 16/20 0.41
GABRA6 Q16445 16/20 0.41
GABRG1 Q8N1C3 16/20 0.41
GABRG3 Q99928 16/20 0.41
GABRQ Q9UN88 16/20 0.41
KDM1A O60341 1/20 0.30

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
SCHEMBL8950467 0.79 KDM1A (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950474 0.79 KDM1A (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950620 0.79 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950535 0.78 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950700 0.76 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950513 0.72 GABRP (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL23126972 0.70 OPRL1 (0.40) KDM1A
SCHEMBL8950501 0.67 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950505 0.67 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL11366020 0.66 NUDT1 (0.43)

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
US-5502073-A INSECTICIDES OR ANTHELMINTICS THE WELLCOME FOUNDATION (GB) 1996-03-26 US disclosed