SCHEMBL22878769

SCHEMBL22878769

COCCN(C)CCOc1ccc(-c2nc3cc(OC(F)(F)F)ccc3[nH]2)nc1

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CBFB Q13951 5/20 0.69
▸ RUNX1 Q01196 9/20 0.52
▸ KDR P35968 1/20 0.39
▸ ACHE P22303 3/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38

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
SCHEMBL19831265 0.96 CBFB (0.65) CBFBRUNX1ACHETRPV1
SCHEMBL179106 0.90 CBFB (0.84) CBFBRUNX1TRPV1
SCHEMBL19831439 0.85 CBFB (0.53) CBFBRUNX1ACHETRPV1
SCHEMBL24245908 0.85 CBFB (0.69) CBFBRUNX1TRPV1
SCHEMBL19831264 0.84 CBFB (0.51) CBFBRUNX1ACHETRPV1
SCHEMBL19831263 0.84 CBFB (0.70) CBFBRUNX1TRPV1
SCHEMBL179114 0.84 CBFB (0.70) CBFBRUNX1TRPV1
SCHEMBL19831268 0.84 CBFB (0.70) CBFBRUNX1TRPV1
SCHEMBL24950162 0.82 CBFB (0.65) CBFBRUNX1TRPV1
SCHEMBL126350 0.80 CBFB (0.66) CBFBRUNX1ACHETRPV1

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-3180004-B1 CANCER THERAPEUTICS UNIV VIRGINIA PATENT FOUNDATION (US) 2021-01-06 — — EP disclosed
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