SCHEMBL14374500

SCHEMBL14374500

O=[N+]([O-])c1ccc(/N=N/c2c(O)ccc(/N=N\c3cc(S(=O)(=O)O)cc4cc(SOOO)c(/N=N/c5ccc(S(=O)(=O)CCOSOOO)cc5)c(O)c34)c2O)c(O)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 3/20 0.36
▸ THRB P10828 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ NPSR1 Q6W5P4 1/20 0.33
▸ PRMT1 Q99873 1/20 0.33
▸ CYP1A2 P05177 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32

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
SCHEMBL14582580 0.94 PRMT1 (0.35) ENPP2ALDH1A1PRMT1CYP1A2CYP2C9
SCHEMBL14374485 0.86 ENPP2 (0.32) ENPP2
SCHEMBL14374486 0.86 ENPP2 (0.32) ENPP2
SCHEMBL14723939 0.84 CYP2C9 (0.38) ENPP2THRBMEN1ALDH1A1LMNA
SCHEMBL14582583 0.84 PRMT1 (0.30) ENPP2PRMT1CYP1A2CYP2C9CYP3A4
SCHEMBL14580404 0.84 ENPP2 (0.42) ENPP2MEN1ALDH1A1LMNAPOLB
SCHEMBL14580402 0.82 ENPP2 (0.39) ENPP2THRBMEN1ALDH1A1LMNA
SCHEMBL14374476 0.82 ENPP2 (0.43) ENPP2THRBLMNANPSR1CYP1A2
SCHEMBL14582575 0.81 ALDH1A1 (0.31) ENPP2ALDH1A1PRMT1CYP1A2CYP2C9
SCHEMBL14582573 0.81 ALDH1A1 (0.31) ENPP2ALDH1A1PRMT1CYP1A2CYP2C9

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-8382857-B2 Method for the reactive coloration of leather BASF SE (DE) 2013-02-26 — — US disclosed
US-20070234488-A1 Method for the Reactive Coloration of Leather BASF AKTIENGESELLSCHAFT (DE) 2007-10-11 — — US disclosed
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