SCHEMBL7019727

SCHEMBL7019727

O=[N+]([O-])c1ccc(-c2nnc([S+]([O-])CCC=C(F)F)o2)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.44
RAB9A P51151 4/20 0.44
NPC1 O15118 4/20 0.44
KMT2A Q03164 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 4/20 0.43
GSK3B P49841 3/20 0.43
HDAC8 Q9BY41 2/20 0.42
PTGS2 P35354 2/20 0.39
MAPK1 P28482 1/20 0.39
MEN1 O00255 1/20 0.39
PKM P14618 1/20 0.39
TP53 P04637 1/20 0.39

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
SCHEMBL7024884 0.81 NPC1 (0.46) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL7023336 0.76 MAPT (0.62) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL7020972 0.75 MAPT (0.44) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL7021754 0.72 NPC1 (0.47) MAPTRAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL29032753 0.71 MAPT (0.51) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL9720227 0.71 MAPT (0.70) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL2835233 0.67 MAPT (0.60) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL28693032 0.67 RAB9A (0.72) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL11363595 0.66 METAP2 (0.60) MAPTRAB9ANPC1KMT2ASMN1; SMN2
SCHEMBL11363599 0.66 METAP2 (0.60) MAPTRAB9ANPC1KMT2ASMN1; SMN2

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
EP-0749433-B1 (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY SYNGENTA LTD (GB) 2003-05-07 EP claimed
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
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