SCHEMBL8975837

SCHEMBL8975837

CCCCCCCCCCCCCCCC[N+](C)(C)CCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 2/20 0.53
▸ MAPT P10636 7/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ ALDH1A1 P00352 3/20 0.46
▸ HCAR3 P49019 2/20 0.45
▸ HTT P42858 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.45
▸ MAPK1 P28482 2/20 0.45
▸ LMNA P02545 3/20 0.45
▸ GAA P10253 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ POLB P06746 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ DNM1 Q05193 1/20 0.41

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 SCHEMBL8613768 0.99 KAT2B (0.52) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8976189 0.86 KAT2B (0.52) KAT2BMAPTNPC1RAB9ASMN1; SMN2
Iodide SCHEMBL8615240 0.85 KAT2B (0.51) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL9011355 0.85 KAT2B (0.68) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3476402 0.85 KAT2B (0.68) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3476711 0.85 KAT2B (0.68) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL7970498 0.85 KAT2B (0.68) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL3477027 0.85 KAT2B (0.68) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL11380052 0.85 KAT2B (0.68) KAT2BMAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8976381 0.84 KAT2B (0.57) KAT2BMAPTSMN1; SMN2ALDH1A1HCAR3

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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