SCHEMBL7743357

SCHEMBL7743357

CC(NC(=S)Nc1ccc(NC(=O)c2cscn2)cc1)c1ccc(F)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
F7 P08709 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GRM4 Q14833 4/20 0.39
ALDH1A1 P00352 1/20 0.38
ALOX12 P18054 1/20 0.38
CYP2C9 P11712 3/20 0.38
CYP2C8 P10632 2/20 0.38
BRAF P15056 2/20 0.38
KDR P35968 2/20 0.38
KIT P10721 1/20 0.37
FLT3 P36888 1/20 0.37
PPARG P37231 1/20 0.37
SCN1A P35498 1/20 0.37
SCN5A Q14524 1/20 0.37
SCN8A Q9UQD0 1/20 0.37

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
SCHEMBL7743339 0.91 F7 (0.49) LMNAMEN1POLBMAPTKMT2A
SCHEMBL7743347 0.88 MEN1 (0.43) LMNAMEN1POLBMAPTKMT2A
SCHEMBL7744020 0.87 MEN1 (0.53) LMNAMEN1POLBMAPTKMT2A
SCHEMBL7737888 0.87 GRM4 (0.44) LMNAMEN1POLBMAPTKMT2A
SCHEMBL7743927 0.87 MEN1 (0.42) LMNAMEN1POLBMAPTKMT2A
SCHEMBL7743932 0.85 PDE2A (0.47) LMNAMEN1POLBMAPTKMT2A
SCHEMBL7745943 0.84 PDE2A (0.46) MEN1KMT2AGRM4CYP2C9CYP2C8
SCHEMBL7743331 0.84 GRM4 (0.47) LMNAMEN1POLBMAPTKMT2A
SCHEMBL7908437 0.83 CYP2C9 (0.43) LMNAMEN1POLBMAPTKMT2A
SCHEMBL7743324 0.82 GRM4 (0.47) LMNAMEN1POLBMAPTKMT2A

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
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 CN claimed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US claimed
US-6426355-B1 VIRICIDES; PREVENTION PRODUCTION AMERICAN HOME PRODUCTS 2002-07-30 US disclosed
CN-1348446-A Heterocyclic carboxamide-containing thiourea inhibitors of herpes viruses containing phenylenediamine groups AMERICAN HOME PROD (US) 2002-05-08 CN disclosed
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US disclosed