SCHEMBL7023239

SCHEMBL7023239

[O-][S+](CCC=C(F)F)c1cc(-c2ccccc2)no1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.44
RAB9A P51151 10/20 0.39
NPC1 O15118 9/20 0.39
SMN1; SMN2 Q16637 7/20 0.38
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
CYP11B1 P15538 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
HPGD P15428 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
MAPT P10636 1/20 0.35
CYP11B2 P19099 2/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7104281 0.74 NPC1 (0.33) RAB9ANPC1SMN1; SMN2HPGD
SCHEMBL8752082 0.73 AURKA (0.39) RAB9AL3MBTL1MEN1KMT2AMAPT
SCHEMBL7026211 0.71 NOTUM (0.50) NOTUMRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL7021183 0.70 NPC1 (0.41) NOTUMRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8466441 0.70 PDE10A (0.35)
SCHEMBL7028313 0.69 NOTUM (0.41) NOTUMRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL7018634 0.69 SMN1; SMN2 (0.48) NOTUMRAB9ANPC1SMN1; SMN2LMNA
SCHEMBL8462407 0.69
SCHEMBL7020997 0.68 ALDH1A1 (0.34) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL8465099 0.65 MEN1 (0.33) TDP1MEN1KMT2ACYP2C9MAPT

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