SCHEMBL9730727

SCHEMBL9730727

N#Cc1cc(C(F)(F)F)cc(C#N)c1-n1cnc(C(F)(F)F)cc1=O

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 1/20 0.35
ESR2 Q92731 1/20 0.34
ALPL P05186 2/20 0.33
ALPI P09923 2/20 0.33
ELANE P08246 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
CES2 O00748 1/20 0.31
EIF4EBP1 Q13541 2/20 0.31
CTSK P43235 1/20 0.30
KDM4E B2RXH2 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
SCHEMBL9581479 0.92 ESR2 (0.32) KDM5BESR2ALPLALPIELANE
SCHEMBL9582173 0.91 DDR1 (0.32) KDM5BESR2ALPLALPI
SCHEMBL9582286 0.91 GABRA2 (0.38) ALDH1A1GAAEIF4EBP1KDM4E
SCHEMBL9730834 0.91 ESR2 (0.33) KDM5BESR2ELANEGAA
SCHEMBL9581956 0.87 TDP1 (0.38) ALDH1A1GAAKDM4E
SCHEMBL9732039 0.84 ESR2 (0.31) ESR2
SCHEMBL9730517 0.83 DDR1 (0.31) ESR2
SCHEMBL9582023 0.83 GABRA2 (0.36) ALDH1A1GAAEIF4EBP1KDM4E
SCHEMBL9765847 0.83 GAA (0.39) KDM5BESR2ALPLALPIALDH1A1
SCHEMBL9581996 0.83 HCAR1 (0.40) ESR2ELANE

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