SCHEMBL13420041

SCHEMBL13420041

Nc1ccc2cc(SOOO)c(/N=N/c3cc([N+](=O)[O-])ccc3O)c(O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 7/20 0.42
▸ MEN1 O00255 6/20 0.42
▸ ALDH1A1 P00352 4/20 0.42
▸ MAPT P10636 4/20 0.42
▸ POLB P06746 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ GAA P10253 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ ALOX15 P16050 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ ALOX12 P18054 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CSNK2A1 P68400 1/20 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
SCHEMBL14259362 0.85 CYP1A2 (0.41) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL10048555 0.80 ENPP2 (0.60) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL14259364 0.80 CYP1A2 (0.42) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL14602382 0.79 ENPP2 (0.44) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL12147045 0.79 HPGD (0.47) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL14355360 0.76 ENPP2 (0.39) KMT2AMEN1ALDH1A1MAPTPOLB
SCHEMBL13994976 0.75 PTPN11 (0.42) ALDH1A1ENPP2HSD17B10CYP1A2CYP2C9
SCHEMBL13386581 0.75 ENPP2 (0.46) KMT2AMEN1ENPP2HPGDALOX15
SCHEMBL13937839 0.74 ENPP2 (0.46) KMT2AMEN1ENPP2HPGDALOX15
SCHEMBL13937838 0.74 CYP3A4 (0.40) KMT2AMEN1ALDH1A1MAPTKDM4E

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-7678161-B2 Reactive dyes, their preparation and their use HUNTSMAN INTERNATIONAL LLC (US) 2010-03-16 — — US disclosed
US-20080083073-A1 Reactive Dyes, Their Preparation And Their Use HUNTSMAN INTERNATIONAL LLC (US) 2008-04-10 — — US disclosed
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