SCHEMBL7027404

SCHEMBL7027404

O=S(=O)(CCC=C(F)F)c1cnc2ccccc2n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 5/20 0.54
LMNA P02545 4/20 0.54
MAPT P10636 4/20 0.54
ALDH1A1 P00352 4/20 0.54
HPGD P15428 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 3/20 0.42
POLB P06746 3/20 0.40
PKM P14618 1/20 0.40
PPARD Q03181 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MEN1 O00255 1/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 2/20 0.35
RAB9A P51151 2/20 0.34
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 2/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL7023947 0.77 NFE2L2 (0.46) HTTLMNAKMT2APOLBPKM
SCHEMBL7017567 0.71 CDK2 (0.30)
SCHEMBL9188480 0.71 LMNA (0.38) HTTLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL3458498 0.70 HTT (0.57) HTTLMNAMAPTALDH1A1HPGD
SCHEMBL30665799 0.70 HTT (0.57) HTTLMNAMAPTALDH1A1HPGD
SCHEMBL27914649 0.69 HTT (0.56) HTTLMNAMAPTALDH1A1HPGD
Hydrochloric Acid SCHEMBL28203639 0.69 HTT (0.56) HTTLMNAMAPTALDH1A1HPGD
SCHEMBL8467073 0.69 KDM4E (0.52) HTTLMNAMAPTALDH1A1HPGD
SCHEMBL7021560 0.69 KDM4E (0.33) MAPTALDH1A1PPARDKDM4E
SCHEMBL7024116 0.69 KMT2A (0.35) HTTLMNAMAPTHPGDSMN1; 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 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