SCHEMBL7020022

SCHEMBL7020022

O=[N+]([O-])c1cccc(-c2nsc(Cl)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.55
RAB9A P51151 6/20 0.51
NPC1 O15118 5/20 0.51
MAPT P10636 7/20 0.51
CYP1A2 P05177 2/20 0.50
MAPK1 P28482 1/20 0.49
LMNA P02545 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KMT2A Q03164 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.48
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
IDO1 P14902 1/20 0.47

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
SCHEMBL7024741 0.82 PSMB8 (0.51) PSMB8RAB9ANPC1MAPTCYP1A2
SCHEMBL11332159 0.82 MGAM (0.56) PSMB8RAB9ANPC1MAPTCYP1A2
SCHEMBL10749315 0.81 CASP3 (0.48) RAB9ANPC1MAPTLMNAALDH1A1
SCHEMBL20501753 0.79 TP53 (0.51) PSMB8RAB9ANPC1MAPTCYP1A2
SCHEMBL1263287 0.78 CYP1A2 (0.55) RAB9ANPC1MAPTCYP1A2MAPK1
SCHEMBL30162999 0.78 NPC1 (0.68) RAB9ANPC1MAPTCYP1A2MAPK1
SCHEMBL14488183 0.76 CYP19A1 (0.46) RAB9ANPC1MAPTALDH1A1GAA
SCHEMBL1263739 0.75 NPC1 (0.56) RAB9ANPC1MAPTCYP1A2MAPK1
SCHEMBL18409235 0.74 NPC1 (0.68) RAB9ANPC1MAPTCYP1A2LMNA
SCHEMBL11257662 0.74 PRSS1 (0.46) PSMB8RAB9AMAPTCYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0749433-B1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY SYNGENTA LTD (GB) 2003-05-07 EP disclosed
US-5952359-A NEMATICIDES, INSECTICIDES AND MITICIDES; 1,1-DIFLUORO-3-(THIAZOLYL OR ISOTHIAZOYL-THIO (OR SULFINYL OR SULFONYL)-PROP-1-ENE DERIVATIVES ZENECA LIMITED (GB) 1999-09-14 US disclosed
US-5912243-A NOVEL COMPOUNDS FOR CONTROLLING NEMATODES, INSECT OR ACARID PESTS ZENECA LIMITED (GB) 1999-06-15 US disclosed
US-5705516-A NEMATOCIDES, INSECTICIDES, ACARICIDES ZENECA LIMITED (GB) 1998-01-06 US disclosed
EP-0749433-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1996-12-27 EP disclosed
WO-1995024403-A1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY ZENECA LIMITED (GB) 1995-09-14 WO disclosed
US-4315009-A Antisecretory guanidine derivatives and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1982-02-09 US disclosed
EP-0003640-B1 ANTISECRETORY GUANIDINE DERIVATIVES, PROCESSES FOR THEIR MANUFACTURE AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-01-27 EP disclosed
EP-0003640-A2 Antisecretory guanidine derivatives, processes for their manufacture and pharmaceutical compositions containing them IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1979-08-22 EP disclosed