SCHEMBL8326733

SCHEMBL8326733

COc1ccc(Sc2nc(C3OCCO3)n(Cc3cc4c(cc3Cl)OCO4)c2C=O)cc1OC

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EDNRA P25101 7/20 0.38
EDNRB P24530 6/20 0.38
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 2/20 0.32
ALDH1A1 P00352 1/20 0.32
BRS3 P32247 3/20 0.32
LMNA P02545 2/20 0.31
P2RX7 Q99572 1/20 0.31
MAPT P10636 2/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RECQL P46063 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
SCHEMBL6580603 0.86 EDNRA (0.47) EDNRAEDNRBHPGDSMN1; SMN2KDM4E
SCHEMBL8329451 0.85 EDNRA (0.42) EDNRAEDNRBHPGDSMN1; SMN2KDM4E
SCHEMBL6580607 0.85 EDNRA (0.42) EDNRAEDNRBHPGDSMN1; SMN2KDM4E
SCHEMBL7506559 0.77 BRS3 (0.40) EDNRAHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL6588042 0.77 BRS3 (0.40) EDNRAHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL3838481 0.76 HSP90AA1 (0.37) EDNRAHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL6581992 0.73 MEN1 (0.42) EDNRAEDNRBHPGDSMN1; SMN2KDM4E
SCHEMBL8435290 0.73 EDNRA (0.47) EDNRAEDNRBHPGDSMN1; SMN2KDM4E
SCHEMBL8049350 0.72 ALDH1A1 (0.38) EDNRAHPGDSMN1; SMN2KDM4EALDH1A1
SCHEMBL7498870 0.72 EDNRA (0.59) EDNRAEDNRBHPGDSMN1; SMN2KDM4E

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-0461677-B1 Novel thiazolidine derivatives ONO PHARMACEUTICAL CO (JP) 1997-04-16 EP claimed
US-5856509-A HYPOTENSIVE AGENTS ROUSSEL UCLAF (FR) 1999-01-05 US disclosed