SCHEMBL19522748

SCHEMBL19522748

COCc1cc(C(O)O)cc(CNCc2nccn2Cc2ccc(F)cc2)n1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ HSP90B1 P14625 6/20 0.43
▸ HSP90AA1 P07900 5/20 0.43
▸ WDR5 P61964 3/20 0.36
▸ LMNA P02545 2/20 0.36
▸ TP53 P04637 3/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KLKB1 P03952 1/20 0.34

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
SCHEMBL17670341 0.86 HSP90AA1 (0.47) HSP90B1HSP90AA1WDR5LMNATP53
SCHEMBL17670484 0.75 HSP90AA1 (0.44) HSP90B1HSP90AA1WDR5LMNATP53
SCHEMBL17544575 0.75 HSP90B1 (0.53) HSP90B1HSP90AA1WDR5
SCHEMBL17544476 0.74 HSP90AA1 (0.43) HSP90B1HSP90AA1WDR5LMNATP53
SCHEMBL17549883 0.73 HSP90AA1 (0.44) HSP90B1HSP90AA1WDR5LMNATP53
SCHEMBL17544568 0.73 HSP90AA1 (0.41) HSP90B1HSP90AA1WDR5LMNATP53
SCHEMBL17670437 0.71 HSP90AA1 (0.42) HSP90B1HSP90AA1WDR5LMNATP53
SCHEMBL17670432 0.71 HSP90AA1 (0.41) HSP90B1HSP90AA1WDR5LMNATP53
SCHEMBL17544785 0.70 HSP90AA1 (0.42) HSP90B1HSP90AA1WDR5LMNATP53
SCHEMBL19522724 0.70 THRB (0.36) TP53RAB9A

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
US-9802941-B2 Compounds and methods for inhibiting histone demethylases GILEAD SCIENCES, INC. (US) 2017-10-31 — — US disclosed
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