SCHEMBL8976392

SCHEMBL8976392

CCCCCCCCCCCCCCCC(C)(C)NCCNc1cc(C)ccc1[N+](=O)[O-]

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KAT2B Q92831 4/20 0.58
▸ MAPT P10636 7/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ HCAR3 P49019 2/20 0.41
▸ PKM P14618 2/20 0.40
▸ POLB P06746 1/20 0.40
▸ HTT P42858 1/20 0.39
▸ CYP3A4 P08684 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
Bromide SCHEMBL8619146 0.99 KAT2B (0.57) KAT2BMAPTALDH1A1TDP1L3MBTL1
SCHEMBL8975849 0.85 KAT2B (0.54) KAT2BMAPTALDH1A1L3MBTL1HCAR3
Iodide SCHEMBL8613774 0.84 KAT2B (0.53) KAT2BMAPTALDH1A1L3MBTL1HCAR3
SCHEMBL17819083 0.83 KAT2B (0.72) KAT2BMAPTALDH1A1TDP1L3MBTL1
SCHEMBL3636228 0.79 KAT2B (0.69) KAT2BMAPTALDH1A1TDP1L3MBTL1
Iodide SCHEMBL8985591 0.78 KAT2B (0.58) KAT2BMAPTALDH1A1HCAR3PKM
SCHEMBL8976381 0.77 KAT2B (0.57) KAT2BMAPTALDH1A1TDP1L3MBTL1
Bromide SCHEMBL8619139 0.76 KAT2B (0.56) KAT2BMAPTALDH1A1TDP1L3MBTL1
SCHEMBL14981759 0.75 KAT2B (0.97) KAT2BMAPTPKMCYP3A4TSHR
Iodide SCHEMBL8985637 0.74 HCAR3 (0.44) KAT2BMAPTALDH1A1TDP1HCAR3

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
Send feedback