SCHEMBL7026569

SCHEMBL7026569

Cc1nnc(SCCC=C(F)F)nc1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGES O14684 5/20 0.43
HPGD P15428 2/20 0.41
RECQL P46063 1/20 0.41
ALDH1A1 P00352 5/20 0.40
LMNA P02545 4/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HKDC1 Q2TB90 1/20 0.38
NPC1 O15118 2/20 0.37
GAA P10253 1/20 0.37
PTGS2 P35354 1/20 0.37
TP53 P04637 1/20 0.36
USP2 O75604 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7025614 0.74 PTGES (0.45) PTGESHPGDRECQLALDH1A1LMNA
SCHEMBL8751988 0.73 ALDH1A1 (0.57) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL7620884 0.71 DUSP10 (0.51) HPGDALDH1A1KMT2AMEN1NPSR1
SCHEMBL7025238 0.70 LMNA (0.33) LMNA
SCHEMBL7029342 0.69 SMN1; SMN2 (0.52) HPGDALDH1A1LMNAKMT2AMEN1
SCHEMBL7016228 0.68
SCHEMBL8752055 0.68 ALDH1A1 (0.50) ALDH1A1NPC1SMN1; SMN2
SCHEMBL8752053 0.68 RAB9A (0.43) ALDH1A1LMNANPC1GAASMN1; SMN2
SCHEMBL9268827 0.67 ALDH1A1 (0.54) HPGDRECQLALDH1A1LMNAKMT2A
SCHEMBL31582467 0.67 PTGES (0.62) PTGESHPGDRECQLALDH1A1LMNA

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