SCHEMBL11713258

SCHEMBL11713258

NNc1ccc2cc(-c3c[nH]nn3)c(=O)oc2c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 9/20 0.45
▸ MAPT P10636 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ GAA P10253 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ GPR35 Q9HC97 1/20 0.37
▸ STS P08842 3/20 0.37
▸ MIF P14174 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ PKM P14618 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPK1 P28482 1/20 0.36

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
SCHEMBL11706256 0.83 MAOB (0.48) MAOBMAPTNPC1ALDH1A1GAA
SCHEMBL15542438 0.81 ESR2 (0.57) NPC1ALDH1A1GAARAB9AMEN1
SCHEMBL3098964 0.79 GPR35 (0.58) MAOBMAPTNPC1ALDH1A1GAA
SCHEMBL11494508 0.77 MIF (0.39) MAOBSTSMIF
SCHEMBL11494502 0.75 MIF (0.41) MAOBMAPTNPC1ALDH1A1GAA
SCHEMBL11823066 0.74 MIF (0.64) MAOBNPC1ALDH1A1GAARAB9A
SCHEMBL11464166 0.73 NPC1 (0.62) MAOBMAPTNPC1ALDH1A1GAA
Hydrochloric Acid SCHEMBL11825435 0.72 NPC1 (0.61) MAOBMAPTNPC1ALDH1A1GAA
SCHEMBL11836485 0.71 MIF (0.64) MAOBSTSMIF
SCHEMBL11748471 0.71 MIF (0.64) MAOBNPC1ALDH1A1GAARAB9A

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-4005098-A BRIGHTENING AGENTS BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 — — US disclosed
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