SCHEMBL9677308

SCHEMBL9677308

CC[C@H]1CS[C@H](c2ccc(Br)cc2)SC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 8/20 0.39
GABRD O14764 8/20 0.39
GABRA1 P14867 8/20 0.39
GABRB1 P18505 8/20 0.39
GABRG2 P18507 8/20 0.39
GABRB3 P28472 8/20 0.39
GABRA5 P31644 8/20 0.39
GABRA3 P34903 8/20 0.39
GABRA2 P47869 8/20 0.39
GABRB2 P47870 8/20 0.39
GABRA4 P48169 8/20 0.39
GABRE P78334 8/20 0.39
GABRA6 Q16445 8/20 0.39
GABRG1 Q8N1C3 8/20 0.39
GABRG3 Q99928 8/20 0.39
GABRQ Q9UN88 8/20 0.39
KDM1A O60341 6/20 0.38
RCOR1 Q9UKL0 3/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9677316 1.00 GABRP (0.39) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9678423 0.82 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9636515 0.74 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950509 0.74 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8950400 0.74 GABRP (0.63) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9636600 0.74 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2564135 0.70 MAPT (0.47) KDM1ARCOR1MAPTSMN1; SMN2TDP1
SCHEMBL10980305 0.69 ALDH1A1 (0.53) KDM1ARCOR1MAPTALDH1A1
SCHEMBL8752146 0.69 ALDH1A1 (0.53) KDM1ARCOR1MAPTALDH1A1
SCHEMBL6860853 0.68 MAPT (0.35) 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-0294228-B1 NOVEL HETEROCYCLIC PESTICIDAL COMPOUNDS THE WELLCOME FOUNDATION LIMITED (GB) 1992-08-26 EP claimed
EP-0294228-A2 Novel heterocyclic pesticidal compounds THE WELLCOME FOUNDATION LIMITED (GB) 1988-12-07 EP disclosed