SCHEMBL9704037

SCHEMBL9704037

Cc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1CO

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 10/20 0.44
GABRA2 P47869 10/20 0.42
GABRB2 P47870 10/20 0.42
RORC P51449 1/20 0.39
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL9704022 0.73 GABRB3 (0.41) GABRB3GABRA2GABRB2
SCHEMBL9703392 0.72 GABRA2 (0.46) GABRB3GABRA2GABRB2RXFP1
SCHEMBL22042180 0.71 GABRB3 (0.51) GABRB3GABRA2GABRB2
SCHEMBL9705746 0.69 GABRA2 (0.44) GABRB3GABRA2GABRB2
SCHEMBL9704735 0.68 GABRB3 (0.42) GABRB3GABRA2GABRB2
SCHEMBL9219609 0.68 GABRB3 (0.48) GABRB3GABRA2GABRB2
SCHEMBL16771000 0.67 ALDH1A1 (0.38) GABRB3GABRA2GABRB2RORC
SCHEMBL9218868 0.67 GABRB3 (0.50) GABRB3GABRA2GABRB2
SCHEMBL18307333 0.67 S1PR1 (0.42) RORC
SCHEMBL319759 0.66 ALDH1A1 (0.42) GABRB3GABRA2GABRB2

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
WO-1992013451-A1 IMIDAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-08-20 WO disclosed