SCHEMBL9330352

SCHEMBL9330352

CCNc1cc([N+](=O)[O-])ccc1S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.49
NT5E P21589 2/20 0.45
ALDH1A1 P00352 5/20 0.44
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 3/20 0.44
HCAR3 P49019 1/20 0.43
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
CYP19A1 P11511 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KAT2B Q92831 1/20 0.41

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
SCHEMBL10502068 0.88 NT5E (0.51) MAPTNT5EALDH1A1GAAHTT
SCHEMBL9328501 0.83 MAPT (0.53) MAPTNT5EALDH1A1GAATHRB
SCHEMBL9327344 0.80 LMNA (0.44) MAPTALDH1A1GAALMNA
SCHEMBL28419026 0.79 SMN1; SMN2 (0.53) MAPTNT5EALDH1A1GAAHTT
SCHEMBL1844429 0.78 MAPT (0.54) MAPTALDH1A1GAATHRBHTT
SCHEMBL13059466 0.77 MAPT (0.49) MAPTALDH1A1LMNAHCAR3KMT2A
SCHEMBL5982382 0.76 KAT2B (0.64) MAPTALDH1A1HTTLMNAKMT2A
SCHEMBL18395639 0.76 MAPT (0.56) MAPTALDH1A1GAATHRBHTT
SCHEMBL6660827 0.76 HPGD (0.41) MAPTALDH1A1GAAL3MBTL1LMNA
SCHEMBL3824748 0.76 MAPT (0.51) MAPTALDH1A1GAATHRBHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0413230-A1 Nitroaniline sulphonic acids and process for preparing phenylenediamino sulphonic acids BASF Aktiengesellschaft (DE) 1991-02-20 EP disclosed