SCHEMBL10397258

SCHEMBL10397258

CC(=O)NNc1cccc(N=Nc2ccccc2)c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.42
▸ NPC1 O15118 3/20 0.42
▸ HTT P42858 1/20 0.42
▸ CRHR1 P34998 5/20 0.42
▸ RAB9A P51151 3/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP3A4 P08684 1/20 0.39
▸ ALOX5 P09917 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ GAA P10253 2/20 0.38
▸ POLB P06746 2/20 0.38
▸ CHRM1 P11229 1/20 0.37
▸ IDE P14735 1/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ KDM4E B2RXH2 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
SCHEMBL8024329 0.81 MAPT (0.36) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL11802753 0.76 CA1 (0.45) MAPTNPC1HTTCRHR1RAB9A
SCHEMBL8024333 0.76 KMT2A (0.40) MAPTNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL10397259 0.74 MAPT (0.50) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL27614713 0.74 PMM2 (0.46) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL9258251 0.74 GPR35 (0.50) MAPTNPC1HTTRAB9ASMN1; SMN2
SCHEMBL10397256 0.73 CA1 (0.43) MAPTCRHR1CYP3A4ALOX5TSHR
SCHEMBL28220369 0.72 GPR35 (0.47) MAPTNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL28233524 0.71 GRIN2D (0.41) MAPTNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL6129304 0.71 MEN1 (0.44) MAPTNPC1HTTRAB9ASMN1; SMN2

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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