SCHEMBL7022346

SCHEMBL7022346

Cc1nnc(SCCC=C(F)F)s1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
MAPT P10636 1/20 0.42
PKM P14618 1/20 0.42
HSD11B1 P28845 3/20 0.41
LMNA P02545 2/20 0.41
TSHR P16473 1/20 0.39
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL7020542 0.88 APEX1 (0.46) GAAL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL7029652 0.83 APEX1 (0.40) GAAL3MBTL1ALDH1A1MAPTPOLB
SCHEMBL7021050 0.81 APEX1 (0.37) L3MBTL1ALDH1A1MAPTLMNAHTT
SCHEMBL7024809 0.81 APEX1 (0.34) ALDH1A1NPC1RAB9APOLBHTT
SCHEMBL7017019 0.80 ALDH1A1 (0.49) L3MBTL1ALDH1A1NPC1RAB9AMAPT
SCHEMBL7025900 0.80 PTGS2 (0.35) ALDH1A1NPC1RAB9APOLBHTT
SCHEMBL7022983 0.80 APEX1 (0.33) GAAALDH1A1NPC1RAB9AMAPT
SCHEMBL7023908 0.80 POLB (0.39) GAAL3MBTL1ALDH1A1NPC1RAB9A
SCHEMBL7018349 0.80 KDM4E (0.34) L3MBTL1ALDH1A1NPC1RAB9ACYP1A2
SCHEMBL7024757 0.78 ALDH1A1 (0.34) ALDH1A1LMNAPOLBHTTSMN1; 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