SCHEMBL9328501

SCHEMBL9328501

CNc1cc([N+](=O)[O-])ccc1S(=O)(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.53
NT5E P21589 2/20 0.48
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA12 O43570 1/20 0.45
CA3 P07451 1/20 0.45
CA4 P22748 1/20 0.45
CA6 P23280 1/20 0.45
CA5A P35218 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA13 Q8N1Q1 1/20 0.45
CA14 Q9ULX7 1/20 0.45
CA5B Q9Y2D0 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 7/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL11350087 0.87 MAPT (0.56) MAPTNT5ECA1CA2CA12
SCHEMBL9330352 0.83 MAPT (0.49) MAPTNT5EMEN1KMT2AALDH1A1
SCHEMBL28419026 0.83 SMN1; SMN2 (0.53) MAPTNT5EMEN1KMT2AALDH1A1
SCHEMBL29176787 0.78 NT5E (0.50) NT5ECA1CA2MEN1KMT2A
SCHEMBL468316 0.78 ALDH1A1 (0.58) NT5EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL468314 0.78 ALDH1A1 (0.58) NT5EMEN1KMT2AALDH1A1HSD17B10
SCHEMBL8981201 0.78 CASP6 (0.43) NT5ECA1CA2CA12CA7
SCHEMBL7996823 0.77 MAPT (0.64) MAPTCA1CA2CA12CA3
SCHEMBL11406058 0.77 ALDH1A1 (0.56) MAPTNT5ECA1CA2CA12
Water SCHEMBL10529340 0.77 ALDH1A1 (0.56) NT5EMEN1KMT2AALDH1A1HSD17B10

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3101655-A None JP disclosed
EP-0413230-B1 Nitroaniline sulphonic acids and process for preparing phenylenediamino sulphonic acids BASF AG (DE) 1994-03-30 EP disclosed
US-5260431-A Nitroanilinesulfonic acids and the preparation of phenylenediaminesulfonic acids BASF AKTIENGESELLSCHAFT (DE) 1993-11-09 US disclosed
JP-H03101655-A PREPARATION OF NITROANILINESULFONIC ACID AND PHENYLENE-DIAMINESULFONIC ACID BASF AG 1991-04-26 JP disclosed
EP-0413230-A1 Nitroaniline sulphonic acids and process for preparing phenylenediamino sulphonic acids BASF Aktiengesellschaft (DE) 1991-02-20 EP disclosed