SCHEMBL9865002

SCHEMBL9865002

COc1cc([N+](=O)[O-])c(NCCCO)cc1O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.49
MAPT P10636 6/20 0.45
ALDH1A1 P00352 3/20 0.45
ABCB1 P08183 2/20 0.42
ABCC1 P33527 2/20 0.42
BCL6 P41182 1/20 0.42
BCOR Q6W2J9 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HCAR3 P49019 2/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KAT2B Q92831 1/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 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
SCHEMBL10464098 0.95 LMNA (0.49) LMNAMAPTALDH1A1ABCB1ABCC1
SCHEMBL9864648 0.90 MAPT (0.53) LMNAMAPTALDH1A1ABCB1ABCC1
SCHEMBL10461578 0.84 MAPT (0.53) LMNAMAPTALDH1A1ABCB1ABCC1
SCHEMBL6938256 0.78 MEN1 (0.55) LMNAMAPTALDH1A1SMN1; SMN2HCAR3
SCHEMBL10889544 0.77 BCL6 (0.52) LMNAMAPTALDH1A1BCL6BCOR
SCHEMBL10905315 0.77 MAPT (0.47) LMNAMAPTALDH1A1BCL6BCOR
SCHEMBL13811009 0.75 NPSR1 (0.49) LMNAMAPTALDH1A1ABCB1ABCC1
SCHEMBL9864739 0.75 LMNA (0.57) LMNAMAPTALDH1A1SMN1; SMN2HCAR3
SCHEMBL10859854 0.75 MAPT (0.56) LMNAMAPTALDH1A1HCAR3PKM
SCHEMBL4655115 0.75 ALDH1A1 (0.56) LMNAMAPTALDH1A1SMN1; SMN2POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5015769-A Hair dyes formed by reaction of an alcohol with a phenol in the presence of a strong base for etherification followed by amination L'OREAL (FR) 1991-05-14 US disclosed
US-4740622-A 3-amino-4-nitrophenols, the process for preparation thereof and their use in dyeing keratinous fibres, and new intermediate 4,5-dinitrophenols L'OREAL (FR) 1988-04-26 US disclosed