SCHEMBL7359303

SCHEMBL7359303

CN(C)CCSc1ccc(C=c2[nH]c(=O)c(=Cc3ccccc3)[nH]c2=O)s1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SERPINE1 P05121 12/20 1.00
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
RAF1 P04049 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
HTR7 P34969 4/20 0.34
CYP2D6 P10635 1/20 0.34
KAT2B Q92831 1/20 0.34
HTR1A P08908 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL7359291 1.00 SERPINE1 (1.00) SERPINE1CYP1A2CYP2C9CYP2C19RAF1
SCHEMBL7355877 0.91 SERPINE1 (0.84) SERPINE1CYP1A2CYP2C9CYP2C19RAF1
SCHEMBL7355888 0.91 SERPINE1 (0.84) SERPINE1CYP1A2CYP2C9CYP2C19RAF1
SCHEMBL7358028 0.90 SERPINE1 (1.00) SERPINE1
SCHEMBL7358033 0.90 SERPINE1 (1.00) SERPINE1
SCHEMBL7353995 0.89 SERPINE1 (1.00) SERPINE1HTR7
SCHEMBL7363197 0.89 SERPINE1 (0.82) SERPINE1
SCHEMBL7363192 0.89 SERPINE1 (0.82) SERPINE1
SCHEMBL7357832 0.89 SERPINE1 (0.80) SERPINE1HTR7KAT2BHTR1A
SCHEMBL7357820 0.89 SERPINE1 (0.80) SERPINE1HTR7KAT2BHTR1A

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-5945297-A Process for screening candidate agents that modulate the hemostatic system METAXEN LLC (US) 1999-08-31 US disclosed
US-5750530-A PLASMINOGEN ACTIVATOR INHIBITORS XENOVA LIMITED (GB) 1998-05-12 US disclosed
WO-1995032190-A2 PHARMACEUTICAL DIKETOPIPERAZINE COMPOUNDS XENOVA LIMITED (GB) 1995-11-30 WO disclosed