SCHEMBL9465161

SCHEMBL9465161

N#Cc1cc(C(F)(F)F)cc(Cl)c1F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 10/20 0.42
GABRP O00591 4/20 0.40
GABRD O14764 4/20 0.40
GABRA1 P14867 4/20 0.40
GABRB1 P18505 4/20 0.40
GABRG2 P18507 4/20 0.40
GABRB3 P28472 4/20 0.40
GABRA5 P31644 4/20 0.40
GABRA3 P34903 4/20 0.40
GABRA2 P47869 4/20 0.40
GABRB2 P47870 4/20 0.40
GABRA4 P48169 4/20 0.40
GABRE P78334 4/20 0.40
GABRA6 Q16445 4/20 0.40
GABRG1 Q8N1C3 4/20 0.40
GABRG3 Q99928 4/20 0.40
GABRQ Q9UN88 4/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MRGPRX4 Q96LA9 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
SCHEMBL31195171 1.00 AR (0.42) ARGABRPGABRDGABRA1GABRB1
SCHEMBL9581513 0.82 AR (0.44) ARGABRPGABRDGABRA1GABRB1
SCHEMBL9314066 0.80 CYP11B1 (0.41) ARCYP11B1CYP11B2TRPV4
SCHEMBL9730820 0.79 AR (0.40) ARKDM4EALDH1A1CYP11B1CYP11B2
SCHEMBL13755144 0.79 AR (0.45) ARGABRPGABRDGABRA1GABRB1
SCHEMBL9581766 0.79 GABRP (0.42) ARGABRPGABRDGABRA1GABRB1
SCHEMBL668872 0.79 PDE2A (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9465482 0.77 CYP11B1 (0.36) ARCYP11B1CYP11B2TRPV4
SCHEMBL31435045 0.77 CYP11B1 (0.36) ARCYP11B1CYP11B2TRPV4
SCHEMBL13748819 0.77 AR (0.47) ARGABRPGABRDGABRA1GABRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398499-A2 Insecticides ZENECA LIMITED (GB) 1990-11-22 EP claimed
US-5196593-A HALOGENATED TRIFLUOROMETHYLBENZENES OCCIDENTAL CHEMICAL CORPORATION (US) 1993-03-23 US disclosed
US-5187176-A 1-PHENYL SUBSTITUTED PYRIMIDONE DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-02-16 US disclosed
US-5109004-A Cyano phenyl-substituted with heterocylic compound; insecticides, miticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-28 US disclosed
EP-0481604-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-22 EP disclosed
US-5079251-A Insecticides, pesticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-01-07 US disclosed
EP-0408196-A2 Pyrazinone derivatives as insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-01-16 EP disclosed
EP-0398499-A2 Insecticides ZENECA LIMITED (GB) 1990-11-22 EP disclosed