SCHEMBL10690859

SCHEMBL10690859

COc1ccc(/C=C\c2nc3c(C(=O)O)cccc3[nH]2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DHODH Q02127 1/20 0.52
▸ PARP1 P09874 3/20 0.51
▸ KDM4E B2RXH2 6/20 0.51
▸ ALDH1A1 P00352 5/20 0.51
▸ NPC1 O15118 5/20 0.48
▸ RAB9A P51151 5/20 0.48
▸ HPGD P15428 4/20 0.48
▸ MEN1 O00255 4/20 0.48
▸ KMT2A Q03164 4/20 0.48
▸ SMN1; SMN2 Q16637 4/20 0.48
▸ CYP1A2 P05177 3/20 0.48
▸ MAPK1 P28482 3/20 0.48
▸ TP53 P04637 2/20 0.48
▸ CYP3A4 P08684 2/20 0.48
▸ HIF1A Q16665 2/20 0.48
▸ HSD17B10 Q99714 2/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ ABCC4 O15439 1/20 0.48
▸ HPGDS O60760 1/20 0.48

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
SCHEMBL10687590 1.00 DHODH (0.52) DHODHPARP1KDM4EALDH1A1NPC1
Hydrochloric Acid SCHEMBL10692537 0.99 DHODH (0.51) DHODHPARP1KDM4EALDH1A1NPC1
Bromide SCHEMBL10687725 0.99 DHODH (0.51) DHODHPARP1KDM4EALDH1A1NPC1
Sulfuric Acid SCHEMBL10687272 0.97 DHODH (0.49) DHODHPARP1KDM4EALDH1A1NPC1
Phosphoric Acid SCHEMBL10788694 0.96 DHODH (0.48) DHODHPARP1KDM4EALDH1A1NPC1
SCHEMBL10684850 0.96 DHODH (0.48) DHODHPARP1KDM4EALDH1A1NPC1
Nitric Acid SCHEMBL10690084 0.94 DHODH (0.47) DHODHPARP1KDM4EALDH1A1NPC1
Nitric Acid SCHEMBL10690080 0.94 DHODH (0.47) DHODHPARP1KDM4EALDH1A1NPC1
Nitric Acid SCHEMBL10690074 0.94 DHODH (0.47) DHODHPARP1KDM4EALDH1A1NPC1
SCHEMBL10689904 0.94 ALDH1A1 (0.48) DHODHPARP1KDM4EALDH1A1NPC1

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-4769384-A ANTIULCER AGENTS NIPPON SHINYAKU CO. LTD. (JP) 1988-09-06 — — US disclosed
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