SCHEMBL11056017

SCHEMBL11056017

Cc1cc(N)c([N+](=O)[O-])cc1NCCCN

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KAT2B Q92831 9/20 0.60
MAPT P10636 4/20 0.51
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.43
LMNA P02545 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PKM P14618 1/20 0.41
DHFR P00374 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
SCHEMBL112790 0.91 MAPT (0.54) KAT2BMAPTALDH1A1LMNA
SCHEMBL30808005 0.91 MAPT (0.54) KAT2BMAPTALDH1A1LMNA
Bromide SCHEMBL10714879 0.89 MAPT (0.51) KAT2BMAPTALDH1A1LMNA
SCHEMBL11059627 0.87 MAPT (0.50) KAT2BMAPTALDH1A1LMNA
SCHEMBL11056141 0.85 MAPT (0.54) KAT2BMAPTALDH1A1POLBLMNA
SCHEMBL6151634 0.84 MAPT (0.52) KAT2BMAPTALDH1A1POLBLMNA
SCHEMBL29391950 0.84 MAPT (0.52) KAT2BMAPTALDH1A1LMNATDP1
SCHEMBL111935 0.84 MAPT (0.52) KAT2BMAPTALDH1A1LMNATDP1
SCHEMBL11054352 0.82 MAPT (0.49) MAPTALDH1A1POLBLMNATDP1
SCHEMBL12959657 0.81 KAT2B (0.69) KAT2BMAPTALDH1A1POLBLMNA

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-4470826-A HAIR DYES, NITRO DYES, DIRECT DYES L'OREAL (FR) 1984-09-11 US disclosed