SCHEMBL8463544

SCHEMBL8463544

Cc1cnc(SCCC=C(F)F)n1C

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
CYP1A2 P05177 2/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C19 P33261 2/20 0.32
HRH3 Q9Y5N1 4/20 0.31
NPC1 O15118 2/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 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
SCHEMBL8466882 0.81
SCHEMBL8466318 0.78 SMN1; SMN2 (0.46) MEN1KMT2ASMN1; SMN2HRH3NPC1
SCHEMBL8465490 0.74
SCHEMBL8465429 0.74 KDM4E (0.44) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL8463211 0.73 PDE10A (0.30)
SCHEMBL12531412 0.71 ALDH1A1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8467079 0.70 ALDH1A1 (0.33) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2
SCHEMBL8465617 0.70 ALDH1A1 (0.33) MEN1KMT2AALDH1A1SMN1; SMN2NPC1
SCHEMBL7025105 0.69 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2CYP3A4CYP2C19RAB9A
SCHEMBL8466866 0.69 L3MBTL1 (0.62) MEN1KMT2AALDH1A1SMN1; SMN2CYP1A2

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 4 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
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