SCHEMBL8664812

SCHEMBL8664812

CCc1nc(C(=O)OC(C)CC)c(SCc2ccc(OC)cc2)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 3/20 0.38
MAPT P10636 3/20 0.36
LMNA P02545 2/20 0.36
EDNRA P25101 2/20 0.35
AURKA O14965 1/20 0.35
CSNK1E P49674 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
FPR1 P21462 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL7501699 0.85 LMNA (0.38) BRS3MAPTLMNAAURKACSNK1E
SCHEMBL8432538 0.82 EDNRA (0.40) BRS3MAPTLMNAEDNRAKMT2A
SCHEMBL7499419 0.81 EDNRA (0.45) BRS3EDNRAAURKACSNK1EGSK3A
SCHEMBL7502700 0.77 EDNRA (0.43) BRS3EDNRAKDM4EALDH1A1HPGD
SCHEMBL8434942 0.73 BRS3 (0.42) BRS3LMNAKDM4EALDH1A1HPGD
SCHEMBL8431736 0.73 BRS3 (0.42) BRS3MAPTLMNAEDNRAAURKA
SCHEMBL8434873 0.72 EDNRA (0.45) BRS3MAPTEDNRAAURKACSNK1E
SCHEMBL7501396 0.72 EDNRA (0.45) BRS3LMNAEDNRAKDM4EALDH1A1
SCHEMBL7496916 0.72 EDNRA (0.54) BRS3EDNRA
SCHEMBL8435081 0.72 EDNRA (0.44) BRS3EDNRAKDM4EALDH1A1HPGD

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
US-5811444-A IMIDAZOLE DERIVATIVES ROUSSEL UCLAF (FR) 1998-09-22 US disclosed