SCHEMBL7024683

SCHEMBL7024683

COc1ccc(SCCC=C(F)F)nn1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.37
MAPT P10636 3/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 2/20 0.31
KMT2A Q03164 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 0.30
HPGD P15428 1/20 0.30

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
SCHEMBL7023241 0.81 NPC1 (0.32) RAB9ALMNA
SCHEMBL7018901 0.78
SCHEMBL7023984 0.74 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8751995 0.74 SMN1; SMN2 (0.35) MAPTPOLBRAB9AKMT2AALDH1A1
SCHEMBL7029342 0.73 SMN1; SMN2 (0.52) MAPTRAB9AKMT2AL3MBTL1ALDH1A1
SCHEMBL6939446 0.70 ALDH1A1 (0.38) NNMTMAPTPOLBRAB9AKMT2A
SCHEMBL7025690 0.69 L3MBTL1 (0.39) MAPTRAB9AKMT2AL3MBTL1ALDH1A1
SCHEMBL8751974 0.68 BRD4 (0.30)
SCHEMBL8752019 0.68 MAPT (0.39) MAPTPOLBKMT2AL3MBTL1ALDH1A1
SCHEMBL7019138 0.68 ALDH1A1 (0.53) MAPTPOLBRAB9AKMT2AL3MBTL1

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 5 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
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