SCHEMBL7836239

SCHEMBL7836239

CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(Br)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.57
LMNA P02545 3/20 0.57
TSHR P16473 1/20 0.57
NPSR1 Q6W5P4 1/20 0.57
KDM4E B2RXH2 2/20 0.56
ALDH1A1 P00352 4/20 0.56
HTT P42858 2/20 0.56
AKT1 P31749 1/20 0.56
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
RAB9A P51151 1/20 0.54
MAPK1 P28482 2/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
GAA P10253 1/20 0.53
GFER P55789 1/20 0.53
ALOX15 P16050 1/20 0.53

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
SCHEMBL7837467 0.92 LMNA (0.63) PKMSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL29776905 0.82 TSHR (0.73) SMN1; SMN2LMNATSHRNPSR1ALDH1A1
SCHEMBL7823751 0.81 HTR6 (0.74) SMN1; SMN2LMNANPSR1KDM4EALDH1A1
SCHEMBL8414792 0.79 HTR6 (0.51) SMN1; SMN2LMNATSHRKDM4EALDH1A1
SCHEMBL7833408 0.79 LMNA (0.63) PKMSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL17593131 0.78 SMN1; SMN2 (0.69) SMN1; SMN2LMNATSHRNPSR1ALDH1A1
SCHEMBL7574036 0.77 PKM (0.68) PKMSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL9365750 0.76 PKM (0.73) PKMSMN1; SMN2LMNAKDM4EALDH1A1
SCHEMBL7138572 0.75 PKM (0.62) PKMALDH1A1KMT2AGAA
SCHEMBL7834756 0.75 LMNA (0.66) PKMSMN1; SMN2LMNAKDM4EALDH1A1

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 4 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
EP-0815861-A1 Sulphonamides and their use F. HOFFMANN-LA ROCHE AG (CH) 1998-01-07 EP disclosed