SCHEMBL7086533

SCHEMBL7086533

Nc1c([S+]([O-])C(F)(F)F)cnn1-c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 10/20 0.38
GABRB2 P47870 10/20 0.38
GABRP O00591 9/20 0.38
GABRD O14764 9/20 0.38
GABRA1 P14867 9/20 0.38
GABRB1 P18505 9/20 0.38
GABRG2 P18507 9/20 0.38
GABRB3 P28472 9/20 0.38
GABRA5 P31644 9/20 0.38
GABRA3 P34903 9/20 0.38
GABRA4 P48169 9/20 0.38
GABRE P78334 9/20 0.38
GABRA6 Q16445 9/20 0.38
GABRG1 Q8N1C3 9/20 0.38
GABRG3 Q99928 9/20 0.38
GABRQ Q9UN88 9/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
HPGD P15428 2/20 0.37
MAPT P10636 2/20 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
SCHEMBL26584 0.84 GABRA2 (0.51) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7199555 0.84 GABRA2 (0.51) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7086725 0.79 GABRA2 (0.45) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9526287 0.75 KMT2A (0.47) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10582758 0.75 GABRA2 (0.47) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10582418 0.72 GABRA2 (0.36) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7082496 0.71 GABRP (0.35) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL7086206 0.71 ALDH1A1 (0.42) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL10771272 0.69 ACHE (0.48) NPC1RAB9AHPGDMAPTGAA
SCHEMBL9117257 0.68 TLR2 (0.38) ALDH1A1PKMSCN9A

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
EP-1331222-A1 Environment friendly reagents and process for halogenoalkylsulfinylation of organic compounds VIRBAC S.A. (FR) 2003-07-30 EP disclosed