SCHEMBL10438554

SCHEMBL10438554

CCCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CRHBP P24387 3/20 0.64
▸ CRHR2 Q13324 3/20 0.64
▸ HPGD P15428 1/20 0.60
▸ L3MBTL1 Q9Y468 1/20 0.60
▸ CYP19A1 P11511 3/20 0.56
▸ CA12 O43570 1/20 0.52
▸ CA2 P00918 1/20 0.52
▸ CA9 Q16790 1/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ MAPT P10636 4/20 0.52
▸ METAP2 P50579 2/20 0.51
▸ KMT2A Q03164 4/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ DDX3X O00571 1/20 0.50
▸ MEN1 O00255 3/20 0.49
▸ LMNA P02545 3/20 0.49
▸ PKM P14618 2/20 0.49
▸ HSP90AA1 P07900 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ MAPK1 P28482 1/20 0.46

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
SCHEMBL13727750 0.85 DDX3X (0.64) CYP19A1CA2ALDH1A1MAPTKMT2A
SCHEMBL12768025 0.82 CRHBP (0.76) CRHBPCRHR2HPGDL3MBTL1CYP19A1
SCHEMBL10661530 0.81 CRHBP (0.71) CRHBPCRHR2HPGDL3MBTL1CYP19A1
SCHEMBL11348338 0.80 MAPT (0.59) CRHBPCRHR2HPGDL3MBTL1ALDH1A1
SCHEMBL10438570 0.79 ALDH1A1 (0.57) L3MBTL1ALDH1A1MAPTMETAP2KMT2A
SCHEMBL11056416 0.79 CRHBP (0.71) CRHBPCRHR2HPGDL3MBTL1CYP19A1
SCHEMBL14428338 0.79 MAPT (0.75) CRHBPCRHR2HPGDL3MBTL1CYP19A1
SCHEMBL28821820 0.79 HPGD (0.70) CRHBPCRHR2HPGDL3MBTL1CYP19A1
SCHEMBL8309888 0.79 CRHBP (1.00) CRHBPCRHR2HPGDL3MBTL1CYP19A1
SCHEMBL5467224 0.78 DDX3X (0.61) CYP19A1CA2ALDH1A1MAPTKMT2A

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
EP-0362725-A1 Process for producing water insoluble azo dyes on the fibre according to the ice-colour technique HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-11 — — EP disclosed
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