SCHEMBL1758696

SCHEMBL1758696

Oc1ccccc1C1=CC2=CC3=NC(=C(c4ccccc4)C4=NC(=C(c5ccccc5)C5=NC(=C(c6ccccc6)C1=N2)C=C5)C=C4)C=C3

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ BCL2L1 Q07817 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33

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
SCHEMBL28024657 0.88 — —
SCHEMBL27883625 0.87 — —
SCHEMBL28311234 0.86 MMP3 (0.33) BCL2L1
SCHEMBL28008851 0.86 — —
SCHEMBL28188074 0.84 — —
SCHEMBL28462570 0.84 MMP3 (0.31) BCL2L1
SCHEMBL1640993 0.84 HSD17B1 (0.31) —
SCHEMBL28009257 0.84 ALDH1A1 (0.31) ALDH1A1HSD17B10
SCHEMBL28406755 0.83 MMP3 (0.32) BCL2L1
SCHEMBL28564877 0.82 ALDH1A1 (0.35) ALDH1A1HPGDBCL2L1HSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7233182-A — — None — — JP disclosed
EP-2493897-A1 HYDROXY-SUBSTITUTED GOLD(III) PORPHYRIN COMPLEXES AS HISTONE DEACETYLASE INHIBITORS The University of Hong Kong (CN) 2012-09-05 — — EP disclosed
WO-2011050575-A1 HYDROXY-SUBSTITUTED GOLD(III) PORPHYRIN COMPLEXES AS HISTONE DEACETYLASE INHIBITORS THE UNIVERSITY OF HONG KONG (CN) 2011-05-05 — — WO disclosed
JP-H07233182-A PORPHYRIN/MANGANESE COMPLEX AND ANION SENSITIVE MEMBRANE TOKUYAMA CORP 1995-09-05 — — JP disclosed
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