SCHEMBL17088269

SCHEMBL17088269

O=[N+]([O-])c1ccc(N=Nc2ccc(S(=O)(=O)O)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.61
CYP2D6 P10635 1/20 0.61
PTPN1 P18031 6/20 0.57
PTPN6 P29350 6/20 0.57
PTPN11 Q06124 6/20 0.57
PTPN2 P17706 1/20 0.54
MEN1 O00255 4/20 0.51
MAPT P10636 4/20 0.51
KMT2A Q03164 4/20 0.51
ALDH1A1 P00352 4/20 0.51
NPSR1 Q6W5P4 2/20 0.51
TDP1 Q9NUW8 2/20 0.51
NPC1 O15118 2/20 0.51
HSP90AA1 P07900 2/20 0.51
RAB9A P51151 2/20 0.51
HTT P42858 2/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
RECQL P46063 1/20 0.51
CA1 P00915 2/20 0.50

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
SCHEMBL30002841 0.88 CA1 (0.61) KMT2AALDH1A1TDP1LMNACA1
SCHEMBL9578 0.88 CA1 (0.61) KMT2AALDH1A1TDP1LMNACA1
SCHEMBL28548752 0.87 POLB (0.64) POLBCYP2D6PTPN1PTPN6PTPN11
SCHEMBL28234580 0.87 POLB (0.64) POLBCYP2D6PTPN1PTPN6PTPN11
SCHEMBL2847705 0.86 CA1 (0.59) KMT2AALDH1A1TDP1LMNACA1
Iodide SCHEMBL9550510 0.86 CA1 (0.59) KMT2AALDH1A1TDP1LMNACA1
SCHEMBL10441952 0.86 CA1 (0.59) KMT2AALDH1A1TDP1LMNACA1
SCHEMBL3851686 0.86 CA1 (0.59) ALDH1A1TDP1LMNACA1CA2
SCHEMBL28692520 0.86 CA1 (0.59) KMT2AALDH1A1TDP1LMNACA1
Water SCHEMBL31042482 0.86 CA1 (0.59) KMT2AALDH1A1TDP1LMNACA1

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