SCHEMBL10583752

SCHEMBL10583752

O=C(NCCc1ccc2cc(S(=O)(=O)O)cc(O)c2c1)c1ccc2nc(Cl)c(Cl)nc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ CA1 P00915 4/20 0.45
▸ CA2 P00918 4/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ MAPT P10636 4/20 0.44
▸ CA9 Q16790 3/20 0.43
▸ CA7 P43166 1/20 0.43
▸ CA14 Q9ULX7 1/20 0.43
▸ CA12 O43570 2/20 0.43
▸ KDM4E B2RXH2 3/20 0.42
▸ MEN1 O00255 3/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ USP2 O75604 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ HPGD P15428 2/20 0.41
▸ RECQL P46063 2/20 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
SCHEMBL10584753 0.89 L3MBTL1 (0.51) L3MBTL1TDP1CA1CA2NPC1
SCHEMBL10582151 0.81 NT5E (0.58) TDP1CA1CA2NPC1RAB9A
SCHEMBL10585260 0.71 CASP6 (0.46) TDP1CA1CA2NPC1RAB9A
SCHEMBL10792451 0.67 CA9 (0.53) CA1CA2CA9CA7CA14
SCHEMBL11797319 0.66 NT5E (0.54) CA2KDM4EALDH1A1LMNANT5E
SCHEMBL7963201 0.66 NPC1 (0.58) L3MBTL1NPC1RAB9AMAPTMEN1
SCHEMBL11593186 0.65 CDH1 (0.40) L3MBTL1TDP1NPC1RAB9AMAPT
SCHEMBL29967260 0.65 PKM (0.50) L3MBTL1TDP1KDM4EMEN1ALDH1A1
SCHEMBL11395860 0.65 PKM (0.50) L3MBTL1TDP1KDM4EMEN1ALDH1A1
SCHEMBL26885182 0.65 NT5E (0.52) CA1CA2MEN1ALDH1A1KMT2A

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
US-4841030-A Azo reactive dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1989-06-20 — — US disclosed
US-4089895-A COUPLER FOR AZO DYES BAYER AKTIENGESELLSCHAFT (DT) 1978-05-16 — — US disclosed
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