SCHEMBL10548366

SCHEMBL10548366

COCc1ncccn1.NC(=O)N=S(=O)=O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 11/20 0.35
RAB9A P51151 11/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
PAX8 Q06710 4/20 0.33
CDK5 Q00535 3/20 0.33
CDK5R1 Q15078 3/20 0.33
SYK P43405 1/20 0.33
KDM4E B2RXH2 4/20 0.32
HTT P42858 2/20 0.32
ALOX12 P18054 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PKM P14618 3/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KMT2A Q03164 1/20 0.31
KDM5A P29375 1/20 0.31
KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL1355692 0.76
Quinoline SCHEMBL2255683 0.69 ALDH1A1 (0.57) NPC1RAB9ASMN1; SMN2TP53KDM4E
SCHEMBL14639041 0.67 NQO1 (0.39) NPC1RAB9ASMN1; SMN2TP53CDK5
Benzene SCHEMBL3120365 0.67 CYP3A4 (0.37) TDP1ALDH1A1L3MBTL1
SCHEMBL6305112 0.66 NNMT (0.39) KDM4EKDM5AKDM5B
Benzene SCHEMBL27536972 0.65 CYP3A4 (0.35) TDP1ALDH1A1L3MBTL1
Benzene SCHEMBL28203037 0.65 CYP3A4 (0.35) TDP1ALDH1A1L3MBTL1
Pyrimidine SCHEMBL27713090 0.65 F7 (0.33) NPC1RAB9A
Pyridine SCHEMBL6570524 0.65 NAPRT (0.41) NPC1RAB9ATDP1ALDH1A1KMT2A
SCHEMBL7754765 0.65

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 11 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
US-4806142-A Herbicidal pyrimidine sulfonylureas E. I. DUPONT DE NEMOURS AND COMPANY (US) 1989-02-21 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-4655823-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1987-04-07 US disclosed
US-4629494-A Herbicidal sulfonamides E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-12-16 US disclosed
EP-0084224-B1 HERBICIDAL SULFONAMIDES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1986-10-08 EP 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-0084224-A1 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-27 EP disclosed
EP-0083975-A2 Herbicidal sulfonamides E.I. DU PONT DE NEMOURS AND COMPANY (US) 1983-07-20 EP disclosed