SCHEMBL9730652

SCHEMBL9730652

Nc1cc(C(F)(F)F)cc(F)c1-n1cnc(C(F)(F)C(F)(F)F)cc1=O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
PTPN5 P54829 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
SCHEMBL9581391 0.91 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9593760 0.86 GABRA2 (0.36) ALDH1A1
SCHEMBL9340434 0.85 GABRA2 (0.35)
SCHEMBL9730698 0.85 GABRB3 (0.30)
SCHEMBL9732039 0.82 ESR2 (0.31)
SCHEMBL9343492 0.81 KDM5B (0.38) ALDH1A1
SCHEMBL9730747 0.81 TDP1 (0.39) ALDH1A1PTPN5
SCHEMBL9339490 0.79 GABRA2 (0.38)
SCHEMBL9723150 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL9730834 0.76 ESR2 (0.33)

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