SCHEMBL9852676

SCHEMBL9852676

C[CH]c1c(Cl)cc(C(F)(F)F)c(Br)c1Cl

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.31
EPAS1 Q99814 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.30
NOTUM Q6P988 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
SCHEMBL9852678 0.79 ADRB2 (0.38) RAPGEF4
SCHEMBL7880527 0.72 EPAS1 (0.37) P2RX7EPAS1NOTUM
SCHEMBL29702062 0.68 P2RX7 (0.33) P2RX7EPAS1RAPGEF4NOTUM
SCHEMBL28785582 0.68 P2RX7 (0.33) P2RX7EPAS1RAPGEF4NOTUM
SCHEMBL9030271 0.68 MEN1 (0.35) NOTUM
SCHEMBL24632316 0.67 EPAS1 (0.31) EPAS1
SCHEMBL20108631 0.66 RAPGEF4 (0.40) P2RX7EPAS1RAPGEF4NOTUM
SCHEMBL18653324 0.66 HTR3E (0.35)
SCHEMBL7882962 0.65 EPAS1 (0.38) P2RX7EPAS1NOTUM
SCHEMBL1768795 0.65 CYP3A4 (0.50) NOTUM

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
EP-0412849-A2 Azole pesticides AgrEvo UK Limited (GB) 1991-02-13 EP disclosed