SCHEMBL11059627

SCHEMBL11059627

Cc1cc(N)c([N+](=O)[O-])cc1NCCCO

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
KAT2B Q92831 4/20 0.46
PRSS1 P07477 3/20 0.42
GSTM2 P28161 1/20 0.41
LMNA P02545 1/20 0.41
BCL6 P41182 1/20 0.41
BCOR Q6W2J9 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
SCHEMBL29391950 0.92 MAPT (0.52) MAPTALDH1A1KAT2BLMNA
SCHEMBL111935 0.92 MAPT (0.52) MAPTALDH1A1KAT2BLMNA
SCHEMBL11056017 0.87 KAT2B (0.60) MAPTALDH1A1KAT2BLMNA
SCHEMBL2834179 0.84 MAPT (0.46) MAPTALDH1A1KAT2BLMNABCL6
SCHEMBL11056141 0.84 MAPT (0.54) MAPTALDH1A1KAT2BLMNA
SCHEMBL30808005 0.84 MAPT (0.54) MAPTALDH1A1KAT2BLMNA
SCHEMBL112790 0.84 MAPT (0.54) MAPTALDH1A1KAT2BLMNA
SCHEMBL6151634 0.83 MAPT (0.52) MAPTALDH1A1KAT2BLMNA
SCHEMBL21810594 0.82 MAPT (0.52) MAPTALDH1A1KAT2BLMNA
Bromide SCHEMBL10714879 0.82 MAPT (0.51) MAPTALDH1A1KAT2BLMNA

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