SCHEMBL8329557

SCHEMBL8329557

COC(=O)c1c(Sc2ccc(OC)cc2)nc(-c2ccccc2)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPT P10636 3/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.39
EDNRB P24530 2/20 0.38
EDNRA P25101 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
MAPK8 P45983 1/20 0.37
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL6582508 0.93 EDNRA (0.43) MEN1KMT2AEDNRBEDNRAALDH1A1
SCHEMBL8433247 0.89 BRS3 (0.39) MEN1KMT2AMAPTEDNRAALDH1A1
SCHEMBL8330624 0.89 EDNRB (0.40) KMT2AMAPTTP53POLBEDNRB
SCHEMBL8329904 0.88 PPARG (0.38) MAPTTP53POLBEDNRBEDNRA
SCHEMBL8524654 0.87 SMN1; SMN2 (0.39) MEN1KMT2AMAPTTP53EDNRA
SCHEMBL8431530 0.86 EDNRA (0.37) KMT2ATP53EDNRBEDNRAALDH1A1
SCHEMBL6581992 0.85 MEN1 (0.42) MEN1KMT2AMAPTTP53POLB
SCHEMBL8431636 0.83 ALDH1A1 (0.40) MEN1KMT2AMAPTTP53EDNRB
SCHEMBL7495951 0.83 EDNRA (0.46) EDNRBEDNRAALDH1A1KDM4EHPGD
SCHEMBL6580208 0.83 EDNRB (0.45) TP53EDNRBEDNRA

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-5856509-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1999-01-05 US disclosed