SCHEMBL6843748

SCHEMBL6843748

CCCCCc1ccccc1C=S

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.50
THRA P10827 1/20 0.42
THRB P10828 1/20 0.42
NR1H2 P55055 1/20 0.41
NR1H3 Q13133 1/20 0.41
ALOX5 P09917 1/20 0.41
PTGS2 P35354 1/20 0.41
BID P55957 3/20 0.39
MCL1 Q07820 3/20 0.39
BCL2L1 Q07817 2/20 0.39
BAK1 Q16611 2/20 0.39
KAT8 Q9H7Z6 2/20 0.39
TLR8 Q9NR97 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
EP300 Q09472 1/20 0.39
KAT2A Q92830 1/20 0.39
KAT2B Q92831 1/20 0.39
KAT5 Q92993 1/20 0.39
SAE1 Q9UBE0 1/20 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
SCHEMBL11443810 0.98 LIPG (0.53) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL9560122 0.98 LIPG (0.53) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL11434972 0.98 LIPG (0.53) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL11435762 0.98 LIPG (0.53) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL4952213 0.94 CYP3A4 (0.44) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL8593874 0.86 MITF (0.36) LIPGCYP3A4CYP2D6CYP2C9
SCHEMBL677129 0.82 LIPG (0.52) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL15563405 0.82 LIPG (0.52) LIPGTHRATHRBNR1H2NR1H3
SCHEMBL11437371 0.82 LIPG (0.45) LIPGTHRATHRBALOX5PTGS2
SCHEMBL8493131 0.81 LIPG (0.55) LIPGTHRATHRBNR1H2NR1H3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE38425-E1 ANTICONVULSANTS ADMINISTERED ORALLLY UNIVERSITY OF SASKATCHEWAN TECHNOLOGIES, INC. (CA) 2004-02-10 US claimed
EP-0836591-B1 SEMICARBAZONES HAVING CNS ACTIVITY AND PHARMACEUTICAL PREPARATIONS CONTAINING SAME UNIV SASKATCHEWAN (CA) 2001-09-26 EP disclosed
CN-1062263-C Semicarbazones having CNS activity and pharmaceutical preparations containing same UNIV SASKATCHEWAN (CA) 2001-02-21 CN disclosed
CN-1190388-A Semicarbazones having central nervous system activity and pharmaceutical preparations containing the same UNIV SASKATCHEWAN (CA) 1998-08-12 CN disclosed
EP-0396827-A1 2-Phenylthiobenzylamine dervivatives and acid addition salts thereof SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1990-11-14 EP disclosed
EP-0396827-A1 2-Phenylthiobenzylamine dervivatives and acid addition salts thereof SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1990-11-14 EP disclosed