SCHEMBL7143990

SCHEMBL7143990

CC(=O)Nc1cccc(Sc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.65
▸ KMT2A Q03164 10/20 0.56
▸ MEN1 O00255 9/20 0.56
▸ MAPT P10636 6/20 0.56
▸ HTT P42858 4/20 0.56
▸ HPGD P15428 4/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ LMNA P02545 2/20 0.52
▸ ALDH1A1 P00352 4/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ POLB P06746 2/20 0.50
▸ DDX3X O00571 1/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.49
▸ KDM4E B2RXH2 2/20 0.48
▸ PAX8 Q06710 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ CYP2C9 P11712 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47

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
SCHEMBL28775114 0.86 SMN1; SMN2 (0.65) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL3902453 0.86 KMT2A (0.73) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL2955716 0.85 SMN1; SMN2 (0.59) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL13836493 0.84 ALDH1A1 (0.61) SMN1; SMN2KMT2AMEN1MAPTMAPK1
SCHEMBL2200367 0.82 ALDH1A1 (0.62) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL13265910 0.80 MAPT (0.58) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL1248559 0.79 SMN1; SMN2 (1.00) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL13265912 0.79 MAPT (0.65) SMN1; SMN2KMT2AMEN1MAPTHTT
SCHEMBL10549815 0.79 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AMEN1MAPTHTT
Acetanilide SCHEMBL27366940 0.78 KMT2A (0.69) SMN1; SMN2KMT2AMEN1MAPTHTT

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-0930302-B1 Benzosulfone derivatives HOFFMANN LA ROCHE (CH) 2003-04-02 — — EP disclosed
US-5990105-A POSSESS A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; TREATING OR PREVENTING PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, DEPRESSIONS, NEUROLOGICAL DISORDERS, PARKINSON'S, AMYOTROPHIC LATERAL SCLEROSIS, ALZHEIMER'S AND HUNTINGTON'S DISEASE HOFFMANN-LA ROCHE INC. (US) 1999-11-23 — — US disclosed
EP-0930302-A2 Benzosulfone derivatives F.HOFFMANN-LA ROCHE AG (CH) 1999-07-21 — — EP disclosed
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