SCHEMBL13973596

SCHEMBL13973596

CNc1ccc(C(=O)Nc2ccc(O)c(O)c2)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.66
▸ ALOX15 P16050 3/20 0.63
▸ SNCA P37840 5/20 0.53
▸ KMT2A Q03164 3/20 0.51
▸ PKM P14618 1/20 0.51
▸ NPC1 O15118 2/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ PTPN1 P18031 1/20 0.50
▸ CCR5 P51681 1/20 0.50
▸ TERT O14746 1/20 0.49
▸ TOP2A P11388 1/20 0.49
▸ TOP2B Q02880 1/20 0.49
▸ NQO2 P16083 1/20 0.47
▸ NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL109009 0.85 TOP1 (0.89) TOP1ALOX15SNCAKMT2APKM
SCHEMBL29429233 0.85 TOP1 (0.89) TOP1ALOX15SNCAKMT2APKM
SCHEMBL17013406 0.83 NPC1 (0.69) ALOX15KMT2APKMNPC1RAB9A
SCHEMBL8420420 0.83 NPC1 (0.69) ALOX15KMT2APKMNPC1RAB9A
SCHEMBL11793228 0.82 KMT2A (0.73) TOP1ALOX15KMT2APKMNPC1
SCHEMBL12937374 0.78 TOP1 (0.74) TOP1ALOX15SNCAKMT2ANPC1
SCHEMBL8348359 0.78 AURKB (0.64) TOP1ALOX15KMT2APKMNPC1
Protocatechuic Acid SCHEMBL4531319 0.77 CA12 (0.68) TOP1TERT
SCHEMBL12706788 0.77 TOP1 (0.72) TOP1ALOX15SNCAKMT2ANPC1
SCHEMBL84733 0.77 ARG1 (0.48) TOP1ALOX15SNCAKMT2A

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-2014285-A1 NPYY5 antagonists Shionogi&Co., Ltd. (JP) 2009-01-14 — — EP disclosed
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