SCHEMBL7024261

SCHEMBL7024261

O=[N+]([O-])c1ccc(SCCC=C(F)F)nc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
TDP1 Q9NUW8 3/20 0.49
KDM4E B2RXH2 1/20 0.46
KMT2A Q03164 3/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
RECQL P46063 1/20 0.42
SLC2A1 P11166 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B3 P37058 1/20 0.41
MEN1 O00255 2/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL14234558 0.82 KDM4E (0.50) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL8751969 0.81 SLC2A1 (0.35) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL7018483 0.80 MAPT (0.49) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL3249905 0.79 ALDH1A1 (0.55) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL14234224 0.77 POLB (0.45) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL4485136 0.76 KDM4E (0.53) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL7023026 0.74 ALDH1A1 (0.50) MAPTALDH1A1KDM4EKMT2APOLB
Hydrogen Sulfide SCHEMBL21332206 0.73 KDM4E (0.60) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL16456689 0.73 CXCR1 (0.51) MAPTALDH1A1TDP1KDM4EKMT2A
SCHEMBL7020420 0.73 KDM4E (0.35) MAPTALDH1A1KDM4EKMT2ARECQL

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 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