SCHEMBL9730834

SCHEMBL9730834

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

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 1/20 0.33
ELANE P08246 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
KDM5B Q9UGL1 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
SCHEMBL9732039 0.93 ESR2 (0.31) ESR2
SCHEMBL9582023 0.92 GABRA2 (0.36) GAASMN1; SMN2TDP1
SCHEMBL9730517 0.92 DDR1 (0.31) ESR2
SCHEMBL9730727 0.91 KDM5B (0.35) ESR2ELANEGAAKDM5B
SCHEMBL9730772 0.84 HCAR1 (0.38) ELANE
SCHEMBL9581479 0.84 ESR2 (0.32) ESR2ELANEGAAKDM5B
SCHEMBL9582173 0.82 DDR1 (0.32) ESR2KDM5B
SCHEMBL9582286 0.82 GABRA2 (0.38) GAASMN1; SMN2TDP1
SCHEMBL9339490 0.80 GABRA2 (0.38)
SCHEMBL9581956 0.79 TDP1 (0.38) GAASMN1; SMN2TDP1

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