SCHEMBL9730698

SCHEMBL9730698

O=c1cc(C(F)(F)C(F)(F)F)ncn1-c1c(F)cc(C(F)(F)F)cc1Br

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 1/20 0.30

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
SCHEMBL9731349 0.91 KDM5B (0.34) GABRB3
SCHEMBL9730652 0.85 ALDH1A1 (0.32)
SCHEMBL9340434 0.85 GABRA2 (0.35) GABRB3
SCHEMBL9730517 0.83 DDR1 (0.31)
SCHEMBL9592292 0.83 DDR1 (0.31)
SCHEMBL9341586 0.83 KDM5B (0.37) GABRB3
SCHEMBL9732039 0.82 ESR2 (0.31)
SCHEMBL9343492 0.81 KDM5B (0.38)
SCHEMBL9730747 0.81 TDP1 (0.39)
SCHEMBL9339490 0.79 GABRA2 (0.38) GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5109004-A Cyano phenyl-substituted with heterocylic compound; insecticides, miticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-28 US disclosed
EP-0398499-A2 Insecticides ZENECA LIMITED (GB) 1990-11-22 EP disclosed