SCHEMBL8465429

SCHEMBL8465429

Cn1ccnc1SCCC=C(F)F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
RAB9A P51151 6/20 0.42
NPC1 O15118 5/20 0.42
ALDH1A1 P00352 4/20 0.42
POLB P06746 3/20 0.42
KMT2A Q03164 3/20 0.42
HPGD P15428 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 1/20 0.42
TP53 P04637 1/20 0.42
ALOX12 P18054 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALPL P05186 1/20 0.40
ALPG P10696 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39

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
SCHEMBL8467079 0.83 ALDH1A1 (0.33) RAB9ANPC1ALDH1A1KMT2AHPGD
SCHEMBL8465617 0.82 ALDH1A1 (0.33) KDM4ERAB9ANPC1ALDH1A1POLB
SCHEMBL8465837 0.82 LMNA (0.32) RAB9ANPC1ALDH1A1POLBKMT2A
SCHEMBL8463515 0.81
SCHEMBL8465849 0.79 KDM4E (0.34) KDM4ERAB9AALDH1A1KMT2AMEN1
SCHEMBL7455902 0.76 KDM4E (0.50) KDM4ERAB9ANPC1ALDH1A1POLB
SCHEMBL8466866 0.76 L3MBTL1 (0.62) RAB9ANPC1ALDH1A1POLBKMT2A
SCHEMBL24866430 0.74 KDM4E (0.51) KDM4ERAB9ANPC1ALDH1A1POLB
SCHEMBL15219972 0.74 KDM4E (0.51) KDM4ERAB9ANPC1ALDH1A1POLB
SCHEMBL8463544 0.74 MEN1 (0.33) RAB9ANPC1ALDH1A1KMT2AMAPT

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
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
CN-1143958-A (4,4-difluorobut-3-enylthio-)-substituted heterocyclic or carbocyclic ring compounds ZENECA LTD (GB) 1997-02-26 CN 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