SCHEMBL8808976

SCHEMBL8808976

CCOC(=S)c1cn(C)c(C)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPO P22079 3/20 0.38
CYP1A2 P05177 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 1/20 0.34
GAA P10253 1/20 0.32
MAPT P10636 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
POLB P06746 1/20 0.31
PKM P14618 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
GABRA2 P47869 1/20 0.31
GABRB2 P47870 1/20 0.31
BAZ2B Q9UIF8 1/20 0.30
BAZ2A Q9UIF9 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30

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
SCHEMBL8807414 0.72
SCHEMBL8812868 0.69
SCHEMBL8812476 0.67 SMN1; SMN2 (0.35) CYP1A2ALDH1A1SMN1; SMN2KMT2APOLB
SCHEMBL20713614 0.67
SCHEMBL7489316 0.67 RXFP1 (0.42) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL9710697 0.66 BRD4 (0.38) LMNAALDH1A1KDM4EHPGDMEN1
SCHEMBL8807141 0.66 CYP1A2 (0.34) CYP1A2MEN1KMT2ATDP1CA12
SCHEMBL6989840 0.64 CYP1A2 (0.37) CYP1A2LMNAALDH1A1KDM4EHPGD
SCHEMBL2093661 0.63
SCHEMBL21232986 0.63 MAPT (0.31) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0785937-A1 2-(IMIDAZOL-4-YL)CARBAPENEME DERIVATIVES, INTERMEDIATES THEREOF AND USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1997-07-30 EP disclosed
WO-1996011932-A1 2-(IMIDAZOL-4-YL)CARBAPENEME DERIVATIVES, INTERMEDIATES THEREOF AND USE AS ANTIBACTERIALS SMITHKLINE BEECHAM PLC (GB) 1996-04-25 WO disclosed
EP-0605524-A1 ANTIBACTERIAL, ANTIMYCOPLASMAL COMPOUNDS RELATED TO MUPIROCIN SMITHKLINE BEECHAM PLC (GB) 1994-07-13 EP disclosed
WO-1993006118-A1 ANTIBACTERIAL, ANTIMYCOPLASMAL COMPOUNDS RELATED TO MUPIROCIN SMITHKLINE BEECHAM PLC (GB) 1993-04-01 WO disclosed