SCHEMBL9494124

SCHEMBL9494124

CCOC(CC)(c1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1)c1nc2c(C(=O)O)cccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 12/20 0.42
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41
PARP1 P09874 1/20 0.38

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
SCHEMBL9491579 0.91 PARP1 (0.44) DHODHKDM4EHPGDPARP1
SCHEMBL9491706 0.85 DHODH (0.42) DHODHKDM4EHPGDPARP1
SCHEMBL4119807 0.79 DHODH (0.44) DHODHPARP1
SCHEMBL9492712 0.79 PARP1 (0.47) DHODHKDM4EHPGDPARP1
SCHEMBL9492739 0.78 DHODH (0.40) DHODHKDM4EHPGDPARP1
SCHEMBL8868621 0.73 KDM4E (0.41) DHODHKDM4EHPGDPARP1
SCHEMBL789857 0.71 ABCB11 (0.36) DHODH
SCHEMBL2512493 0.70 AGTR2 (0.51)
SCHEMBL9491813 0.68 DHODH (0.40) DHODH
Azilsartan SCHEMBL284893 0.67 AGTR2 (0.68)

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-5243054-A Hypotensive agents, cardiovascular disorders or nervous system disorders TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-09-07 US disclosed