SCHEMBL11372160

SCHEMBL11372160

CCOC(=O)c1c(C)cc2ncn(-c3ccccc3[N+](=O)[O-])c(=O)c2c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HCAR1 Q9BXC0 1/20 0.43
▸ CNR1 P21554 1/20 0.42
▸ CNR2 P34972 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SLC5A1 P13866 1/20 0.41
▸ SLC5A2 P31639 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ ALDH1A1 P00352 5/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 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
SCHEMBL11374984 0.87 ESR2 (0.47) CNR1CNR2TDP1ALDH1A1SMN1; SMN2
SCHEMBL11370725 0.85 PDE4B (0.47) HCAR1CNR1CNR2ALDH1A1SMN1; SMN2
SCHEMBL11368889 0.84 ALDH1A1 (0.52) CNR1CNR2SLC5A1SLC5A2MAPT
SCHEMBL11372681 0.83 POLB (0.48) HCAR1CNR1CNR2SLC5A1SLC5A2
SCHEMBL11372451 0.83 ESR2 (0.52) CNR1CNR2GABRA2ESR1ESR2
SCHEMBL11074341 0.81 CNR1 (0.54) CNR1CNR2MEN1KMT2ASLC5A1
SCHEMBL11082376 0.73 SLC5A1 (0.55) HCAR1SLC5A1SLC5A2MAPTNPC1
SCHEMBL11380037 0.72 KDM4E (0.41) MEN1KMT2AMAPTNPC1MAPK1
SCHEMBL11374217 0.72 CNR1 (0.53) CNR1CNR2KMT2AMAPTMAPK1
SCHEMBL11306858 0.71 PDE4B (0.50) KMT2AALDH1A1GAAGABRA1GABRG2

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-4276295-A VASODILATORS, HYPOTENSIVE, ANTIATHEROSCLEROTIC Ishikawa, Masayuki (JP) 1981-06-30 — — US claimed
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