SCHEMBL10547713

SCHEMBL10547713

O=S(=O)(Cl)c1ccccc1-n1cccn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
CHRM1 P11229 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
G6PD P11413 1/20 0.42
NOTUM Q6P988 1/20 0.41
ACLY P53396 1/20 0.39
KAT6A Q92794 3/20 0.38
ADRA2A P08913 1/20 0.38
ADRA1A P35348 1/20 0.38
TDO2 P48775 1/20 0.37
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KCNN4 O15554 1/20 0.35

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
SCHEMBL29484301 0.83 MAPK1 (0.49) MAPK1NPC1ALDH1A1MEN1KMT2A
SCHEMBL15266274 0.83 MAPK1 (0.49) MAPK1NPC1ALDH1A1MEN1KMT2A
SCHEMBL621024 0.83 MAPK1 (0.49) MAPK1NPC1ALDH1A1MEN1KMT2A
SCHEMBL8759101 0.83 MAPK1 (0.49) MAPK1NPC1ALDH1A1MEN1KMT2A
SCHEMBL4341886 0.77 MAPK1 (0.67) MAPK1NPC1ALDH1A1MEN1KMT2A
SCHEMBL30183430 0.76 MAPK1 (0.49) MAPK1NPC1ALDH1A1MEN1KMT2A
SCHEMBL8663946 0.75 NPC1 (0.42) MAPK1NPC1MEN1KMT2ACHRM1
SCHEMBL8662730 0.75 NPC1 (0.42) MAPK1NPC1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4336588 0.75 MAPK1 (0.64) MAPK1NPC1ALDH1A1MEN1KMT2A
Hydrochloric Acid SCHEMBL4340576 0.75 MAPK1 (0.64) MAPK1NPC1ALDH1A1MEN1KMT2A

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
US-4810282-A 3-ORTHO-(ISOXAZOLYL,ISOTHIAZOLYL, PYRAZOLYL,THIADIAZOLYL, OXADIAZOLYL AND TRIAZOLYL BENZENESULFONUREYLENE-1,2,4-TRIAZOLES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1989-03-07 US disclosed
EP-0083975-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1987-11-19 EP disclosed
US-4695311-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-09-22 US disclosed
US-4606755-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-08-19 US disclosed
US-4511392-A N--/PYRIMIDIN-2-YLAMINOCARBENYL/-HETERO-SUBSTITUETED BENZENSESULFO E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-04-16 US disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP disclosed