SCHEMBL2742451

SCHEMBL2742451

CC(=O)Nc1cc(S(=O)(=O)O)cc2ccc(N=Nc3ccccc3C)c(O)c12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 7/20 0.46
▸ APEX1 P27695 1/20 0.42
▸ CASP6 P55212 1/20 0.42
▸ HTT P42858 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ FUT8 Q9BYC5 1/20 0.39
▸ PHLPP2 Q6ZVD8 1/20 0.39
▸ SUMO2 P61956 1/20 0.38
▸ SUMO1 P63165 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP3 Q9H4L4 1/20 0.38
▸ SENP2 Q9HC62 1/20 0.38
▸ SENP1 Q9P0U3 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ CYP1A2 P05177 2/20 0.38

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
SCHEMBL110153 0.86 ENPP2 (0.56) ENPP2APEX1HTTMEN1KMT2A
SCHEMBL185815 0.86 ENPP2 (0.56) ENPP2APEX1HTTMEN1KMT2A
SCHEMBL1139743 0.86 ENPP2 (0.56) ENPP2APEX1HTTMEN1KMT2A
SCHEMBL185813 0.85 ENPP2 (0.55) ENPP2APEX1HTTMEN1KMT2A
SCHEMBL27732032 0.85 ENPP2 (0.55) ENPP2APEX1HTTMEN1KMT2A
SCHEMBL14413265 0.84 AMY1A (0.49) ENPP2CASP6NPC1MAPTHPGD
SCHEMBL21433102 0.82 ALDH1A1 (0.49) HTTMEN1KMT2AALDH1A1NPC1
SCHEMBL3201580 0.81 ALDH1A1 (0.48) HTTMEN1KMT2AALDH1A1NPC1
SCHEMBL12248711 0.78 MAPT (0.43) ENPP2CASP6MEN1KMT2AMAPK1
SCHEMBL12997324 0.77 ENPP2 (0.46) ENPP2APEX1CASP6HTTMEN1

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-8653247-B2 Rinsable dyes and methods for their preparation Spectra Colors Corp. (US) 2014-02-18 — — US disclosed
US-20120004400-A1 Rinsable dyes and methods for their preparation Spectra Colors Corp. 2012-01-05 — — US disclosed
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