SCHEMBL19522722

SCHEMBL19522722

Cc1cc(C(=O)O)cc(CNCc2nccn2CCc2cccc(Cl)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.42
▸ MEN1 O00255 1/20 0.38
▸ HCRTR1 O43613 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ PSEN1 P49768 1/20 0.37
▸ PSEN2 P49810 1/20 0.37
▸ APH1B Q8WW43 1/20 0.37
▸ NCSTN Q92542 1/20 0.37
▸ APH1A Q96BI3 1/20 0.37
▸ PSENEN Q9NZ42 1/20 0.37
▸ BRD4 O60885 1/20 0.36
▸ CASR P41180 1/20 0.35
▸ AKR1C3 P42330 1/20 0.35
▸ P2RY14 Q15391 1/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90AB1 P08238 1/20 0.35
▸ HSP90B1 P14625 1/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ CSNK2A1 P68400 1/20 0.35
▸ RXRA P19793 1/20 0.35

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
SCHEMBL17683749 0.91 YTHDC1 (0.34) KDM4CKMT2AHSP90AA1HSP90AB1HSP90B1
SCHEMBL17670496 0.91 ALDH1A1 (0.40) KDM4CMEN1KMT2AHSP90AA1HSP90AB1
SCHEMBL17670506 0.86 KDM4C (0.40) KDM4CMEN1HCRTR1KMT2APSEN1
SCHEMBL17544777 0.83 HSP90AA1 (0.36) MEN1KMT2ABRD4HSP90AA1HSP90B1
SCHEMBL17670343 0.83 L3MBTL1 (0.41) —
SCHEMBL17670498 0.83 HSP90B1 (0.40) MEN1KMT2AHSP90B1
SCHEMBL17670434 0.80 KLKB1 (0.39) HSP90AA1HSP90AB1HSP90B1HDAC1
SCHEMBL17670467 0.79 ADORA2A (0.34) MEN1KMT2A
SCHEMBL17549907 0.79 BRD4 (0.34) MEN1KMT2ABRD4
SCHEMBL17670471 0.79 P2RY14 (0.38) MEN1KMT2AP2RY14HSP90AA1HSP90AB1

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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