SCHEMBL20512982

SCHEMBL20512982

O=C(O)c1ccc(Oc2cccc(N3C(=O)c4ccc(Oc5ccc6c(c5)C(=O)N(c5cccc(Oc7ccc(C(=O)O)c(C(=O)O)c7)c5)C6=O)cc4C3=O)c2)cc1C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.63
▸ MEN1 O00255 2/20 0.63
▸ KMT2A Q03164 2/20 0.63
▸ MAPK1 P28482 1/20 0.63
▸ BRD4 O60885 1/20 0.60
▸ LPAR3 Q9UBY5 2/20 0.58
▸ LPAR1 Q92633 1/20 0.58
▸ LPAR5 Q9H1C0 1/20 0.58
▸ HSD17B10 Q99714 1/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PIM3 Q86V86 1/20 0.50
▸ HIPK4 Q8NE63 1/20 0.50
▸ SCN2A Q99250 1/20 0.50
▸ CA1 P00915 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ HPSE Q9Y251 1/20 0.48
▸ TDP1 Q9NUW8 2/20 0.48
▸ KDM4E B2RXH2 1/20 0.48
▸ APOBEC3A P31941 1/20 0.48

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
SCHEMBL10641093 0.83 BRD4 (0.65) POLBMEN1KMT2AMAPK1BRD4
SCHEMBL9458368 0.82 HSD17B10 (0.76) POLBMEN1KMT2AMAPK1BRD4
SCHEMBL20346175 0.82 BRD4 (0.63) POLBMEN1KMT2AMAPK1BRD4
SCHEMBL9803534 0.81 LPAR1 (0.77) POLBMEN1KMT2AMAPK1BRD4
SCHEMBL6720226 0.80 BRD4 (0.58) POLBMEN1KMT2AMAPK1BRD4
SCHEMBL261725 0.80 BRD4 (0.68) POLBMEN1KMT2AMAPK1BRD4
SCHEMBL19689370 0.79 BRD4 (0.72) POLBMEN1KMT2AMAPK1BRD4
SCHEMBL24149295 0.79 MEN1 (0.74) POLBMEN1KMT2AMAPK1BRD4
SCHEMBL20081072 0.79 BRD4 (0.60) POLBMEN1KMT2AMAPK1BRD4
SCHEMBL29393214 0.78 POLB (0.67) POLBMAPK1ALDH1A1HPSETDP1

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-3381906-A1 COMPOUNDS FOR USE AS HEPARANASE INHIBITORS Leadiant Biosciences SA (CH) 2018-10-03 — — EP claimed
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