SCHEMBL9768171

SCHEMBL9768171

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
GABRB3 P28472 6/20 0.42
GABRP O00591 5/20 0.42
GABRD O14764 5/20 0.42
GABRA1 P14867 5/20 0.42
GABRB1 P18505 5/20 0.42
GABRG2 P18507 5/20 0.42
GABRA5 P31644 5/20 0.42
GABRA3 P34903 5/20 0.42
GABRA2 P47869 5/20 0.42
GABRB2 P47870 5/20 0.42
GABRA4 P48169 5/20 0.42
GABRE P78334 5/20 0.42
GABRA6 Q16445 5/20 0.42
GABRG1 Q8N1C3 5/20 0.42
GABRG3 Q99928 5/20 0.42
GABRQ Q9UN88 5/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C19 P33261 2/20 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
SCHEMBL9768208 0.87 GABRB3 (0.45) ALDH1A1GAAGABRB3GABRPGABRD
SCHEMBL9768335 0.86 ALDH1A1 (0.52) ALDH1A1GAAGABRB3GABRPGABRD
SCHEMBL10437765 0.75 NPC1 (0.46) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL27326571 0.75 ALDH1A1 (0.44) ALDH1A1GABRB3GABRPGABRDGABRA1
SCHEMBL9213953 0.74 GABRB3 (0.43) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9768087 0.74 P2RX7 (0.43) ALDH1A1GAAGABRB3GABRPGABRD
Hydrochloric Acid SCHEMBL9502895 0.74 GABRB3 (0.42) ALDH1A1GAAGABRB3GABRPGABRD
SCHEMBL9768317 0.72 GABRB3 (0.44) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9768227 0.72 TDP1 (0.43) ALDH1A1GAAGABRB3GABRPGABRD
SCHEMBL9768161 0.71 GABRB3 (0.57) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064844-A Miticides SCHERING AGROCHEMICALS LIMITED (GB) 1991-11-12 US disclosed