SCHEMBL8975849

SCHEMBL8975849

CCCCCCCCCCCCCCCC(C)(C)NCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 2/20 0.54
▸ MAPT P10636 9/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HTT P42858 1/20 0.46
▸ NPC1 O15118 3/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.45
▸ LMNA P02545 2/20 0.44
▸ HCAR3 P49019 2/20 0.44
▸ GAA P10253 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ POLB P06746 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
Iodide SCHEMBL8613774 0.99 KAT2B (0.53) KAT2BMAPTALDH1A1HTTNPC1
SCHEMBL8976392 0.85 KAT2B (0.58) KAT2BMAPTALDH1A1HTTSMN1; SMN2
Bromide SCHEMBL8619146 0.84 KAT2B (0.57) KAT2BMAPTALDH1A1HTTSMN1; SMN2
SCHEMBL11380052 0.83 KAT2B (0.68) KAT2BMAPTALDH1A1HTTNPC1
SCHEMBL9011355 0.83 KAT2B (0.68) KAT2BMAPTALDH1A1HTTNPC1
SCHEMBL3477027 0.83 KAT2B (0.68) KAT2BMAPTALDH1A1HTTNPC1
SCHEMBL3476711 0.83 KAT2B (0.68) KAT2BMAPTALDH1A1HTTNPC1
SCHEMBL7970498 0.83 KAT2B (0.68) KAT2BMAPTALDH1A1HTTNPC1
SCHEMBL3476402 0.83 KAT2B (0.68) KAT2BMAPTALDH1A1HTTNPC1
SCHEMBL1170743 0.81 KAT2B (0.69) KAT2BMAPTALDH1A1HTTNPC1

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
EP-0705597-A1 Process of direct hair dyeing using cationic direct dyes and steam L'OREAL (FR) 1996-04-10 — — EP disclosed
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