SCHEMBL8329451

SCHEMBL8329451

COC(=O)c1c(Sc2ccc(OC)c(OC)c2)nc(C2OCCO2)n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 9/20 0.42
EDNRB P24530 8/20 0.42
SMN1; SMN2 Q16637 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.34
TRIP13 Q15645 1/20 0.33
NPC1 O15118 2/20 0.33
TP53 P04637 2/20 0.33
RAB9A P51151 2/20 0.33
MAPT P10636 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KMT2A Q03164 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL6580603 0.93 EDNRA (0.47) EDNRAEDNRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6580607 0.87 EDNRA (0.42) EDNRAEDNRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8326733 0.85 EDNRA (0.38) EDNRAEDNRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8435290 0.78 EDNRA (0.47) EDNRAEDNRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8433247 0.77 BRS3 (0.39) EDNRASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL8524654 0.77 SMN1; SMN2 (0.39) EDNRASMN1; SMN2ALDH1A1KDM4EHPGD
SCHEMBL7498870 0.77 EDNRA (0.59) EDNRAEDNRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8435288 0.77 EDNRA (0.48) EDNRAEDNRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8329557 0.74 MEN1 (0.39) EDNRAEDNRBSMN1; SMN2ALDH1A1KDM4E
SCHEMBL8329904 0.74 PPARG (0.38) EDNRAEDNRBSMN1; SMN2ALDH1A1KDM4E

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