SCHEMBL10687010

SCHEMBL10687010

C#CCOc1ccc(/C=C/c2nc3c(C(=O)O)cccc3[nH]2)cc1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.44
▸ KMT2A Q03164 7/20 0.44
▸ DHODH Q02127 1/20 0.44
▸ POLB P06746 2/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ NPC1 O15118 4/20 0.42
▸ CYP2C9 P11712 2/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.42
▸ ALDH1A1 P00352 5/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ APP P05067 1/20 0.41
▸ PARP1 P09874 3/20 0.41
▸ LMNA P02545 4/20 0.41
▸ MAPT P10636 4/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PDE4B Q07343 1/20 0.40
▸ CTDSP1 Q9GZU7 1/20 0.40
▸ CA12 O43570 1/20 0.39
▸ CA2 P00918 1/20 0.39
▸ CA9 Q16790 1/20 0.39

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 0.88 DHODH (0.52) MEN1KMT2ADHODHPOLBRAB9A
SCHEMBL10690859 0.88 DHODH (0.52) MEN1KMT2ADHODHPOLBRAB9A
Bromide SCHEMBL10687725 0.88 DHODH (0.51) MEN1KMT2ADHODHPOLBRAB9A
Hydrochloric Acid SCHEMBL10692537 0.88 DHODH (0.51) MEN1KMT2ADHODHPOLBRAB9A
SCHEMBL10687219 0.87 NPC1 (0.48) MEN1KMT2ADHODHPOLBRAB9A
SCHEMBL10685982 0.86 PARP1 (0.54) MEN1KMT2ADHODHPOLBRAB9A
Sulfuric Acid SCHEMBL10687272 0.86 DHODH (0.49) MEN1KMT2ADHODHPOLBRAB9A
SCHEMBL10687023 0.85 KMT2A (0.45) MEN1KMT2APOLBRAB9ANPC1
Phosphoric Acid SCHEMBL10684618 0.85 MAPT (0.49) MEN1KMT2ADHODHPOLBRAB9A
SCHEMBL10684871 0.85 NPC1 (0.57) MEN1KMT2ADHODHRAB9ANPC1

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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