SCHEMBL7908437

SCHEMBL7908437

CC(NC(=S)Nc1ccc(NC(=O)c2cscn2)cc1)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 7/20 0.43
CYP2C8 P10632 4/20 0.43
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.40
RIPK1 Q13546 4/20 0.39
PDE2A O00408 1/20 0.39
CYP3A4 P08684 1/20 0.39
GRM4 Q14833 2/20 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
SCHEMBL7743932 0.93 PDE2A (0.47) CYP2C9CYP2C8MEN1KMT2AMAPT
SCHEMBL7076519 0.91 RIPK1 (0.40) CYP2C9CYP2C8ALDH1A1CYP2D6RIPK1
SCHEMBL7743339 0.89 F7 (0.49) CYP2C9CYP2C8MEN1KMT2AMAPT
SCHEMBL7908147 0.85 CYP2C9 (0.47) CYP2C9CYP2C8MEN1KMT2AMAPT
SCHEMBL7905383 0.85 CYP2C9 (0.47) CYP2C9CYP2C8MEN1KMT2AMAPT
SCHEMBL7743967 0.85 CYP2C9 (0.47) CYP2C9CYP2C8MEN1KMT2AMAPT
SCHEMBL7743480 0.84 CYP2C9 (0.44) CYP2C9CYP2C8MEN1KMT2AMAPT
SCHEMBL7743331 0.84 GRM4 (0.47) CYP2C9CYP2C8MEN1KMT2AMAPT
SCHEMBL7078813 0.84 PDE2A (0.43) CYP2C9CYP2C8MEN1KMT2AMAPT
SCHEMBL7743494 0.83 MEN1 (0.53) MEN1KMT2AMAPTLMNAPOLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6197803-B1 VIRICIDES; PREVENTION REPRODUCTION AMERICAN HOME PRODUCTS CORPORATION 2001-03-06 US claimed
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