SCHEMBL17089135

SCHEMBL17089135

O=[N+]([O-])c1ccc(N=Nc2ccc(O)cc2S(=O)(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.68
▸ MAPT P10636 3/20 0.68
▸ KMT2A Q03164 3/20 0.68
▸ ALDH1A1 P00352 3/20 0.68
▸ NPSR1 Q6W5P4 2/20 0.68
▸ HTT P42858 2/20 0.68
▸ LMNA P02545 1/20 0.68
▸ POLB P06746 1/20 0.68
▸ TDP1 Q9NUW8 2/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ HSP90AA1 P07900 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ RECQL P46063 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ CYP2C9 P11712 2/20 0.45
▸ CYP2C19 P33261 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP3A4 P08684 1/20 0.45

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
SCHEMBL11877243 0.83 MEN1 (0.71) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL1289510 0.81 MAPT (1.00) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL1289511 0.81 MAPT (1.00) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL29366468 0.81 MAPT (1.00) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL9625069 0.81 MEN1 (0.60) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL10492064 0.81 MEN1 (0.60) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL9881365 0.81 ALDH1A1 (0.53) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL4846701 0.79 MEN1 (0.74) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL28515018 0.79 MEN1 (0.74) MEN1MAPTKMT2AALDH1A1NPSR1
SCHEMBL29653722 0.79 MEN1 (0.74) MEN1MAPTKMT2AALDH1A1NPSR1

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
US-9139954-B2 Aqueous coloring composition for textile printing, textile printing method, and fabric FUJIFILM CORPORATION (JP) 2015-09-22 — — US disclosed
Send feedback