SCHEMBL9768208

SCHEMBL9768208

O=C(O)c1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 5/20 0.45
GABRP O00591 4/20 0.45
GABRD O14764 4/20 0.45
GABRA1 P14867 4/20 0.45
GABRB1 P18505 4/20 0.45
GABRG2 P18507 4/20 0.45
GABRA5 P31644 4/20 0.45
GABRA3 P34903 4/20 0.45
GABRA2 P47869 4/20 0.45
GABRB2 P47870 4/20 0.45
GABRA4 P48169 4/20 0.45
GABRE P78334 4/20 0.45
GABRA6 Q16445 4/20 0.45
GABRG1 Q8N1C3 4/20 0.45
GABRG3 Q99928 4/20 0.45
GABRQ Q9UN88 4/20 0.45
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9768171 0.87 ALDH1A1 (0.43) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9768335 0.82 ALDH1A1 (0.52) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL10437765 0.76 NPC1 (0.46) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL27326571 0.76 ALDH1A1 (0.44) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9213953 0.75 GABRB3 (0.43) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9768087 0.75 P2RX7 (0.43) GABRB3GABRPGABRDGABRA1GABRB1
Hydrochloric Acid SCHEMBL9502895 0.75 GABRB3 (0.42) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL15578585 0.75 SRD5A2 (0.41) KMT2AMARS1POLBMAPTSMN1; SMN2
SCHEMBL10437857 0.74 GABRB3 (0.46) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9768212 0.74 PKM (0.49) GABRB3GABRPGABRDGABRA1GABRB1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064844-A Miticides SCHERING AGROCHEMICALS LIMITED (GB) 1991-11-12 US disclosed
CN-1039345-A TRIAZOLE INSECTICIDES SCHERING AGROCHEMICALS LTD (GB) 1990-02-07 CN disclosed
EP-0350237-A2 Triazole insecticides SCHERING AGROCHEMICALS LIMITED (GB) 1990-01-10 EP disclosed