SCHEMBL10397259

SCHEMBL10397259

CC(=O)Nc1ccc(N=Nc2ccccc2)c([N+](=O)[O-])c1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.50
▸ HTT P42858 4/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ CYP19A1 P11511 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ HDAC3 O15379 1/20 0.36
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC2 Q92769 1/20 0.36
▸ AMY1A P0DUB6 1/20 0.36
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ CA7 P43166 1/20 0.35

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
SCHEMBL1048383 0.78 MEN1 (0.48) MAPTHTTNPC1SMN1; SMN2RAB9A
SCHEMBL10397258 0.74 MAPT (0.42) MAPTHTTNPC1SMN1; SMN2RAB9A
SCHEMBL13219022 0.73 MAPT (0.59) MAPTHTTNPC1SMN1; SMN2RAB9A
SCHEMBL30620152 0.73 MAPT (0.63) MAPTHTTNPC1SMN1; SMN2RAB9A
SCHEMBL28287460 0.72 MAPT (0.66) MAPTHTTNPC1SMN1; SMN2RAB9A
SCHEMBL27973104 0.72 MAPT (0.66) MAPTHTTNPC1SMN1; SMN2RAB9A
SCHEMBL11883065 0.72 TDP1 (0.51) MAPTHTTSMN1; SMN2CYP19A1KMT2A
SCHEMBL10442506 0.71 MAPT (0.41) MAPTHTTNPC1SMN1; SMN2RAB9A
SCHEMBL11694170 0.71 MAPT (0.49) MAPTHTTNPC1SMN1; SMN2RAB9A
SCHEMBL11694161 0.71 MAPT (0.49) MAPTHTTNPC1SMN1; SMN2RAB9A

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-4960435-A HEAT TREATING IN AQUEOUS SOLVENT OR ANIONIC OR NONIONIC SURFACTANT; COLORFAST NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1990-10-02 — — US disclosed
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