SCHEMBL7836852

SCHEMBL7836852

CC(=O)N(C)c1cc(N(C)C(C)=O)cc([N+](=O)[O-])c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.49
KMT2A Q03164 5/20 0.47
HTT P42858 3/20 0.47
MEN1 O00255 4/20 0.42
LMNA P02545 1/20 0.42
TSHR P16473 1/20 0.42
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPK1 P28482 2/20 0.41
CYP3A4 P08684 1/20 0.41
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
CYP19A1 P11511 1/20 0.40
MAPT P10636 1/20 0.40
GALR3 O60755 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7142246 0.88 ATM (0.43) ATMKMT2AHTTMEN1LMNA
SCHEMBL2017690 0.82 ALDH1A1 (0.56) ATMKMT2AHTTMEN1LMNA
SCHEMBL2103568 0.81 MAPK1 (0.55) ATMKMT2AMEN1TSHRSMN1; SMN2
SCHEMBL7836847 0.81 ATM (0.38) ATMKMT2AHTTMEN1LMNA
SCHEMBL23524810 0.77 ALDH1A1 (0.36) ATMKMT2AHTTMEN1LMNA
SCHEMBL11744519 0.73 TSHR (0.51) KMT2AHTTMEN1LMNATSHR
SCHEMBL14495248 0.72 ALDH1A1 (0.50) ATMKMT2AHTTMEN1TSHR
SCHEMBL23524833 0.72 GRIN2D (0.33) ATMKMT2AHTTMEN1LMNA
SCHEMBL7838515 0.71 SMN1; SMN2 (0.39) KMT2AHTTMEN1LMNASMN1; SMN2
SCHEMBL11140206 0.70 MAPK1 (0.50) KMT2AMEN1LMNATSHRHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815861-B1 Sulphonamides and their use HOFFMANN LA ROCHE (CH) 2001-09-19 EP disclosed
US-6030976-A SELECTIVE AFFINITY TO 5HT-6 RECEPTORS; CENTRAL NERVOUS SYSTEM DISORDERS; ALZHEIMER'S DISEASE, PSYCHOSES, SCHIZOPHRENIA, MANIC DEPRESSIONS, MEMORY DISORDERS, PARKINSON'S DISEASE, AMYOTROPHIC LATERAL SCLEROSIS AND HUNTINGTON'S DISEASE HOFFMAN-LA ROCHE INC. (US) 2000-02-29 US disclosed
US-5998665-A THERAPY FOR NERVOUS SYSTEM DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-12-07 US disclosed
US-5939451-A INDOL-4-YL-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-17 US disclosed
US-5932599-A 4-AMINO-N-(PYRIDINYL-4-YL)-BENZENESULFONAMIDES AS ACTIVE MATERIAL TREATING MALARIA, BACTERIAL INFECTION, NEUROLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1999-08-03 US disclosed
EP-0815861-A1 Sulphonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-07 EP disclosed