SCHEMBL3807293

SCHEMBL3807293

O=C(O)Oc1sc(-c2ccccc2)cc1N(Cc1cccc(Cl)c1)C(=O)C1CCC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.45
MEN1 O00255 1/20 0.45
HTT P42858 1/20 0.45
KMT2A Q03164 1/20 0.45
NR1H4 Q96RI1 7/20 0.42
CPB1 P15086 1/20 0.41
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GHSR Q92847 2/20 0.39
MAPT P10636 1/20 0.39
CCR5 P51681 1/20 0.38
CTSV O60911 1/20 0.37
CTSL P07711 1/20 0.37
CTSS P25774 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
SCHEMBL3815088 0.96 CPB1 (0.43) KDM4EMEN1HTTKMT2ANR1H4
SCHEMBL3811147 0.93 CPB1 (0.47) KDM4EMEN1HTTKMT2ANR1H4
SCHEMBL3811171 0.91 CNR2 (0.45) KDM4EMEN1HTTKMT2ANR1H4
SCHEMBL3811557 0.89 CPB1 (0.49) KDM4EMEN1HTTKMT2ANR1H4
SCHEMBL3812112 0.89 PTGES (0.45) KMT2ANR1H4CPB1MAPT
SCHEMBL3811160 0.87 CNR1 (0.45) NR1H4CPB1LMNASMN1; SMN2MAPT
SCHEMBL3807405 0.87 CPB1 (0.43) KDM4EMEN1HTTKMT2ANR1H4
SCHEMBL3815202 0.87 HSD17B1 (0.39) MEN1KMT2AMAPT
SCHEMBL3807291 0.86 CPB1 (0.43) KDM4EMEN1HTTKMT2ANR1H4
SCHEMBL3811131 0.86 NR1H4 (0.49) HTTNR1H4CPB1NPC1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1401825-B1 THIOPHENE DERIVATIVES AS ANTIVIRAL AGENTS FOR FLAVIVIRUS INFECTION VIROCHEM PHARMA INC (CA) 2009-08-05 EP claimed