SCHEMBL8950639

SCHEMBL8950639

CC(C)(C)C1CSC(c2ccc(C#N)cc2)SC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRP O00591 17/20 0.71
GABRD O14764 17/20 0.71
GABRA1 P14867 17/20 0.71
GABRB1 P18505 17/20 0.71
GABRG2 P18507 17/20 0.71
GABRB3 P28472 17/20 0.71
GABRA5 P31644 17/20 0.71
GABRA3 P34903 17/20 0.71
GABRA2 P47869 17/20 0.71
GABRB2 P47870 17/20 0.71
GABRA4 P48169 17/20 0.71
GABRE P78334 17/20 0.71
GABRA6 Q16445 17/20 0.71
GABRG1 Q8N1C3 17/20 0.71
GABRG3 Q99928 17/20 0.71
GABRQ Q9UN88 17/20 0.71

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
SCHEMBL8950548 0.83 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950633 0.82 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9677369 0.79 GABRP (0.65) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950665 0.78 GABRP (0.71) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950645 0.77 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950509 0.77 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950400 0.77 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10656328 0.77 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9678779 0.77 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950550 0.77 GABRP (0.63) 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
EP-0294229-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-12-02 EP claimed
US-5502073-A INSECTICIDES OR ANTHELMINTICS THE WELLCOME FOUNDATION (GB) 1996-03-26 US disclosed