SCHEMBL10465100

SCHEMBL10465100

NCCCCNS(=O)(=O)c1nc2ccccc2[nH]1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.54
CYP3A4 P08684 7/20 0.48
ALDH1A1 P00352 6/20 0.48
CYP1A2 P05177 6/20 0.48
CYP2C9 P11712 6/20 0.48
CYP2C19 P33261 6/20 0.48
SCN1A P35498 3/20 0.48
SCN2A Q99250 3/20 0.48
SCN3A Q9NY46 3/20 0.48
HSD17B10 Q99714 3/20 0.48
KDM4E B2RXH2 2/20 0.48
TP53 P04637 6/20 0.43
MAPK1 P28482 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 5/20 0.41
THPO P40225 2/20 0.41
NFKB1 P19838 1/20 0.41
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40

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
SCHEMBL11176535 0.86 L3MBTL1 (0.54) L3MBTL1ALDH1A1TP53SMN1; SMN2GAA
SCHEMBL10466305 0.85 BCHE (0.56) L3MBTL1ALDH1A1HSD17B10TP53MAPK1
SCHEMBL2084790 0.79 ALDH1A1 (0.59) L3MBTL1CYP3A4ALDH1A1HSD17B10KDM4E
SCHEMBL10464989 0.79 L3MBTL1 (0.57) L3MBTL1ALDH1A1CYP1A2CYP2C19HSD17B10
SCHEMBL10466678 0.76 TSHR (0.53) L3MBTL1CYP1A2CYP2C19SMN1; SMN2GAA
SCHEMBL5711769 0.76 L3MBTL1 (0.54) L3MBTL1ALDH1A1HSD17B10KDM4ETP53
SCHEMBL10467095 0.75 L3MBTL1 (0.53) L3MBTL1CYP3A4ALDH1A1HSD17B10KDM4E
SCHEMBL10466047 0.73 L3MBTL1 (0.67) L3MBTL1CYP3A4ALDH1A1HSD17B10KDM4E
SCHEMBL8229545 0.73 L3MBTL1 (0.67) L3MBTL1CYP3A4ALDH1A1HSD17B10KDM4E
SCHEMBL5330672 0.73 L3MBTL1 (0.57) L3MBTL1ALDH1A1CYP1A2CYP2C9CYP2C19

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-0246126-A1 Benzimidazoles and imidazopyridine sulfone amides, process for their preparation and their use as medicaments LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1987-11-19 EP claimed
US-4943570-A GASTROINTESTINAL DISORDERS LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1990-07-24 US disclosed
US-4933338-A ANTIULCER AGENTS, ANTISECRETORY AGENTS, TREATMENT OF GASTROINTESTINAL DISORDERS; CHEMICAL INTERMEDIATES LABORATORIOS DEL DR. ESTEVE, S.A. (ES) 1990-06-12 US disclosed