SCHEMBL9234166

SCHEMBL9234166

CC(=O)c1c(C(C)O)c2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ BRD4 O60885 2/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ MAPK1 P28482 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL351525 0.87 BRD4 (0.35) MEN1KMT2ABRD4MAPTHSD17B10
SCHEMBL9234160 0.80 STAT3 (0.36) —
Acetone SCHEMBL29186682 0.77 STAT3 (0.36) HSD17B10
Lactic Acid SCHEMBL28033649 0.76 TP53 (0.38) MEN1KMT2AMAPTMAPK1HSD17B10
SCHEMBL5034718 0.76 STAT3 (0.38) MEN1KMT2AMAPTHSD17B10TDP1
SCHEMBL1597373 0.76 STAT3 (0.43) BRD4MAPTHSD17B10
Acetic Acid SCHEMBL8673453 0.76 STAT3 (0.38) KMT2AMAPTMAPK1HSD17B10TDP1
SCHEMBL9281302 0.75 STAT3 (0.45) MEN1KMT2A
SCHEMBL351897 0.75 STAT3 (0.45) BRD4MAPTHSD17B10
SCHEMBL28443834 0.75 STAT3 (0.36) HSD17B10

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-5498710-A PHOTOSENSITIZERS HEALTH RESEARCH, INC. (US) 1996-03-12 — — US disclosed
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