SCHEMBL6581992

SCHEMBL6581992

COc1ccc(Sc2nc(-c3ccccc3)n(Cc3cc4c(cc3Cl)OCO4)c2C=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
BRS3 P32247 3/20 0.38
MAPT P10636 5/20 0.35
ALDH1A1 P00352 5/20 0.35
HTT P42858 3/20 0.35
HPGD P15428 3/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
EDNRB P24530 1/20 0.35
TP53 P04637 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
POLB P06746 1/20 0.35
EDNRA P25101 1/20 0.35

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
SCHEMBL7506559 0.89 BRS3 (0.40) MEN1KMT2ABRS3MAPTALDH1A1
SCHEMBL6580124 0.88 MEN1 (0.41) MEN1KMT2ABRS3MAPTALDH1A1
SCHEMBL6588042 0.87 BRS3 (0.40) MEN1KMT2ABRS3ALDH1A1HPGD
SCHEMBL6582508 0.86 EDNRA (0.43) MEN1KMT2AALDH1A1HTTEDNRB
SCHEMBL8329557 0.85 MEN1 (0.39) MEN1KMT2AMAPTALDH1A1HTT
SCHEMBL6577534 0.85 EDNRA (0.36) MEN1KMT2ABRS3ALDH1A1HTT
SCHEMBL6580054 0.80 BRS3 (0.39) BRS3ALDH1A1HPGDKDM4EEDNRB
SCHEMBL8784081 0.80 MAPK1 (0.41) MEN1KMT2ABRS3MAPTALDH1A1
SCHEMBL6579996 0.78 HSP90AA1 (0.38) MEN1KMT2AALDH1A1HPGDKDM4E
SCHEMBL6580208 0.77 EDNRB (0.45) BRS3EDNRBTP53EDNRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0804435-B1 NOVEL IMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2004-03-10 EP disclosed
US-5856509-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1999-01-05 US disclosed