SCHEMBL7025614

SCHEMBL7025614

Cc1nnc(SCCCC(F)(F)Br)nc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGES O14684 6/20 0.45
ALDH1A1 P00352 4/20 0.40
LMNA P02545 2/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
MAPT P10636 1/20 0.36
HKDC1 Q2TB90 1/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL7026569 0.74 PTGES (0.43) PTGESALDH1A1LMNAKMT2AMEN1
SCHEMBL31582268 0.71 PTGES (0.63) PTGESALDH1A1LMNAKMT2AMEN1
SCHEMBL7024763 0.70 MEN1 (0.30) LMNAKMT2AMEN1
SCHEMBL31582467 0.64 PTGES (0.62) PTGESALDH1A1LMNAKMT2AMEN1
SCHEMBL31582548 0.64 NPSR1 (0.57) PTGESALDH1A1LMNAKMT2AMEN1
SCHEMBL25940206 0.64 ALDH1A1 (0.62) PTGESALDH1A1LMNAKMT2AMEN1
SCHEMBL21527261 0.64 NPSR1 (0.66) PTGESALDH1A1LMNAKMT2AMEN1
SCHEMBL17166610 0.63 CLK4 (0.55) ALDH1A1KMT2AMEN1NPSR1HPGD
SCHEMBL11467233 0.61 PTGES (0.71) PTGESLMNAMAPTGAAPTGS2
SCHEMBL14689721 0.61 LMNA (0.48) ALDH1A1LMNANPSR1HPGDNPC1

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