SCHEMBL7024741

SCHEMBL7024741

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB8 P28062 1/20 0.51
CYP1A2 P05177 2/20 0.50
RAB9A P51151 7/20 0.48
MAPT P10636 6/20 0.48
NPC1 O15118 6/20 0.48
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 1/20 0.47
HTT P42858 1/20 0.47
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
IDO1 P14902 1/20 0.47
MAPK1 P28482 1/20 0.46
TSHR P16473 1/20 0.46
MGAM O43451 1/20 0.46
GAA P10253 1/20 0.46
SI P14410 1/20 0.46
PKM P14618 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL11332159 0.82 MGAM (0.56) PSMB8CYP1A2RAB9AMAPTNPC1
SCHEMBL7020022 0.82 PSMB8 (0.55) PSMB8CYP1A2RAB9AMAPTNPC1
SCHEMBL8806142 0.81 XDH (0.45) RAB9AMAPTNPC1LMNAHTT
SCHEMBL20501753 0.79 TP53 (0.51) PSMB8CYP1A2RAB9AMAPTNPC1
SCHEMBL28471286 0.75 TSHR (0.73) RAB9AMAPTNPC1LMNASMN1; SMN2
SCHEMBL18409235 0.74 NPC1 (0.68) CYP1A2RAB9AMAPTNPC1LMNA
SCHEMBL11257662 0.74 PRSS1 (0.46) PSMB8CYP1A2RAB9AMAPTLMNA
SCHEMBL1806545 0.73 CSNK2A1 (0.61) RAB9AMAPTMEN1HTTKMT2A
SCHEMBL23042515 0.73 RAB9A (0.50) CYP1A2RAB9AMAPTNPC1LMNA
SCHEMBL8803518 0.73 KDM4E (0.42) MAPTMEN1KMT2AIDO1MGAM

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
CN-1143962-A Triazole compound and processes for preparation thereof YUHAN CORP (KR) 1997-02-26 CN disclosed
EP-0751943-A1 TRIAZOLE COMPOUNDS AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 1997-01-08 EP 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-1995025107-A1 TRIAZOLE COMPOUNDS AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1995-09-21 WO 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