SCHEMBL7019138

SCHEMBL7019138

FC(F)=CCCSc1ccccn1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KMT2A Q03164 3/20 0.49
MAPT P10636 2/20 0.49
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 6/20 0.43
HSD17B10 Q99714 2/20 0.43
EHMT2 Q96KQ7 1/20 0.42
EHMT1 Q9H9B1 1/20 0.42
APOBEC3G Q9HC16 1/20 0.42
MEN1 O00255 2/20 0.42
PKM P14618 1/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL719258 0.79 RAB9A (0.41) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL7626937 0.79 HTT (0.40) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL5580510 0.77 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL7022114 0.77 LMNA (0.38) LMNATSHR
SCHEMBL8467073 0.75 KDM4E (0.52) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL4686394 0.74 ALDH1A1 (0.62) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL7025690 0.74 L3MBTL1 (0.39) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL8752023 0.74 ALDH1A1 (0.41) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL5928179 0.74 KDM4E (0.40) ALDH1A1KMT2AMAPTNPC1RAB9A
SCHEMBL8751974 0.74 BRD4 (0.30)

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