SCHEMBL4723684

SCHEMBL4723684

COc1cc(OC)cc(-c2nn(-c3cc(Br)ccc3C(F)(F)F)c(=O)c3c2CCN3CCO)c1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 4/20 0.34
F10 P00742 7/20 0.32
RET P07949 1/20 0.32
PRKX P51817 1/20 0.32
TAOK1 Q7L7X3 1/20 0.32
AR P10275 2/20 0.32
GRM7 Q14831 1/20 0.31
LGALS3 P17931 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL4722668 0.91 F10 (0.37) WDR5F10
SCHEMBL4720926 0.90 WDR5 (0.33) WDR5F10RETPRKXTAOK1
SCHEMBL4724288 0.89 F10 (0.40) WDR5F10MAPT
SCHEMBL4721664 0.86 F10 (0.35) WDR5F10LGALS3MAPT
SCHEMBL4723157 0.86 F10 (0.32) WDR5F10LGALS3MAPT
SCHEMBL4722519 0.85 F10 (0.31) WDR5F10
SCHEMBL4724293 0.85 F10 (0.38) F10
SCHEMBL4721689 0.85 F10 (0.38) F10
SCHEMBL4763492 0.85 F10 (0.34) F10MAPT
SCHEMBL4723688 0.85 S1PR1 (0.35) WDR5F10

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-1953147-A1 HETEROCYCLIC COMPOUND AND MEDICINAL APPLICATION THEREOF Japan Tobacco, Inc. (JP) 2008-08-06 EP disclosed