SCHEMBL7745943

SCHEMBL7745943

CC(NC(=S)Nc1ccc(NC(=O)c2cscn2)cc1)c1ccc(C(F)(F)F)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 11/20 0.46
TRPV1 Q8NER1 1/20 0.41
KCNQ3 O43525 1/20 0.40
KCNQ2 O43526 1/20 0.40
KCNE1 P15382 1/20 0.40
KCNQ1 P51787 1/20 0.40
GRM4 Q14833 2/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C8 P10632 1/20 0.39
BRAF P15056 1/20 0.39
KDR P35968 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL7743331 0.93 GRM4 (0.47) PDE2AKCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL7743318 0.89 MEN1 (0.41) GRM4CYP2C9CYP2C8BRAFKDR
SCHEMBL7743324 0.89 GRM4 (0.47) PDE2AGRM4BRAFKDRMEN1
SCHEMBL7743937 0.88 POLB (0.42) GRM4MEN1KMT2A
SCHEMBL7743960 0.86 KMT2A (0.44) GRM4BRAFKDRMEN1KMT2A
SCHEMBL7908147 0.85 CYP2C9 (0.47) GRM4CYP2C9CYP2C8KDRMEN1
SCHEMBL7743967 0.85 CYP2C9 (0.47) GRM4CYP2C9CYP2C8KDRMEN1
SCHEMBL7905383 0.85 CYP2C9 (0.47) GRM4CYP2C9CYP2C8KDRMEN1
SCHEMBL7743357 0.84 LMNA (0.41) GRM4CYP2C9CYP2C8BRAFKDR
SCHEMBL7743480 0.83 CYP2C9 (0.44) GRM4CYP2C9CYP2C8KDRMEN1

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