SCHEMBL8465617

SCHEMBL8465617

CCCn1ccnc1SCCC=C(F)F

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.33
POLB P06746 3/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 1/20 0.33
TLR8 Q9NR97 2/20 0.32
LMNA P02545 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
THRB P10828 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 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
SCHEMBL8467079 0.90 ALDH1A1 (0.33) ALDH1A1KMT2AHPGDLMNARAB9A
SCHEMBL8465837 0.89 LMNA (0.32) ALDH1A1POLBKMT2AHPGDHTT
SCHEMBL8465429 0.82 KDM4E (0.44) ALDH1A1POLBKMT2AHPGDRAB9A
SCHEMBL8463515 0.76
SCHEMBL8465849 0.74 KDM4E (0.34) ALDH1A1KMT2ARAB9ASMN1; SMN2KDM4E
SCHEMBL7297467 0.71 ALDH1A1 (0.35) ALDH1A1POLBKMT2AHPGDHTT
SCHEMBL28957334 0.71 POLB (0.46) ALDH1A1POLBKMT2AHPGDHTT
SCHEMBL8466866 0.71 L3MBTL1 (0.62) ALDH1A1POLBKMT2ALMNARAB9A
SCHEMBL8465081 0.70 ALDH1A1 (0.32) ALDH1A1POLBKMT2ATLR8
SCHEMBL7293941 0.70 ALDH1A1 (0.50) ALDH1A1POLBKMT2AHPGDHTT

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