SCHEMBL14652571

SCHEMBL14652571

O=C(O)c1ccccc1N1C(=O)c2cccc3cc(S(=O)(=O)O)cc(c23)C1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CLTC Q00610 6/20 0.50
▸ APEX1 P27695 1/20 0.48
▸ CYP2C9 P11712 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ MEN1 O00255 4/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ LMNA P02545 1/20 0.44
▸ LPAR2 Q9HBW0 3/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ GAA P10253 1/20 0.42
▸ L3MBTL1 Q9Y468 2/20 0.42
▸ CA12 O43570 1/20 0.42
▸ CA9 Q16790 1/20 0.42
▸ RXFP1 Q9HBX9 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ POLB P06746 1/20 0.41
▸ APOBEC3A P31941 1/20 0.41
▸ RECQL P46063 1/20 0.41
▸ CASP6 P55212 1/20 0.41
▸ APOBEC3G Q9HC16 1/20 0.41

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
SCHEMBL22717018 0.84 MEN1 (0.60) CLTCAPEX1MEN1KMT2ALPAR2
SCHEMBL14652569 0.81 CYP2C9 (0.55) CLTCCYP2C9CYP2C19MEN1KMT2A
SCHEMBL4234742 0.78 CLTC (0.78) CLTCAPEX1CYP2C9CYP2C19MEN1
SCHEMBL7848586 0.77 ERCC1 (0.62) CLTCMEN1KMT2AALDH1A1CA12
N-Phthaloylanthranilic Acid SCHEMBL29549628 0.75 APEX1 (0.71) APEX1LMNAALDH1A1GAAL3MBTL1
N-Phthaloylanthranilic Acid SCHEMBL481284 0.75 APEX1 (0.71) APEX1LMNAALDH1A1GAAL3MBTL1
SCHEMBL6389919 0.72 HSD17B10 (0.49) APEX1MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL28869011 0.72 CA12 (0.50) CLTCMEN1KMT2AALDH1A1GAA
SCHEMBL3827398 0.72 ALDH1A1 (0.55) CLTCMEN1KMT2AALDH1A1TDP1
SCHEMBL5750370 0.72 MEN1 (0.59) MEN1KMT2ALMNAALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2013010218-A9 INHIBITION OF CLATHRIN FREIE UNIVERSITÄT BERLIN (DE) 2013-03-28 — — WO disclosed
WO-2013010218-A1 INHIBITION OF CLATHRIN FREIE UNIVERSITÄT BERLIN (DE) 2013-01-24 — — WO disclosed
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