SCHEMBL9820097

SCHEMBL9820097

Nc1ccc(NCCCO)c([N+](=O)[O-])c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PRSS1 P07477 4/20 0.57
KAT2B Q92831 5/20 0.55
ALDH1A1 P00352 3/20 0.52
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
MAPT P10636 3/20 0.51
HCAR3 P49019 2/20 0.51
POLB P06746 1/20 0.51
PKM P14618 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
GSTM2 P28161 1/20 0.49
ALOX15 P16050 1/20 0.49
MAPK1 P28482 1/20 0.49
HSD17B10 Q99714 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49

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
SCHEMBL29390674 0.91 ALDH1A1 (0.62) PRSS1KAT2BALDH1A1TSHRTDP1
SCHEMBL109433 0.91 ALDH1A1 (0.62) PRSS1KAT2BALDH1A1TSHRTDP1
SCHEMBL14155094 0.84 GSTM2 (0.54) PRSS1KAT2BALDH1A1TSHRTDP1
SCHEMBL19972855 0.84 HCAR3 (0.66) PRSS1KAT2BALDH1A1MAPTHCAR3
SCHEMBL6233037 0.84 ALDH1A1 (0.67) PRSS1KAT2BALDH1A1TSHRTDP1
SCHEMBL111519 0.84 PRSS1 (0.55) PRSS1KAT2BALDH1A1TSHRTDP1
SCHEMBL8645160 0.84 ALDH1A1 (0.57) PRSS1KAT2BALDH1A1TSHRTDP1
SCHEMBL8804352 0.83 PRSS1 (0.54) PRSS1KAT2BMAPTHCAR3POLB
SCHEMBL21141858 0.83 MAPK1 (0.46) PRSS1KAT2BALDH1A1TSHRTDP1
SCHEMBL2469009 0.83 KAT2B (0.58) PRSS1KAT2BALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226973-B1 4-BIS(2'-HYDROXYETHYL)AMINO-1-(3'-HYDROXYPROPYL)AMINO-2-NITRO-BENZENE, PROCESS FOR ITS PREPARATION AND MEANS FOR DYEING HAIR Wella Aktiengesellschaft (DE) 1991-03-06 EP claimed
EP-0226973-B1 4-BIS(2'-HYDROXYETHYL)AMINO-1-(3'-HYDROXYPROPYL)AMINO-2-NITRO-BENZENE, PROCESS FOR ITS PREPARATION AND MEANS FOR DYEING HAIR Wella Aktiengesellschaft (DE) 1991-03-06 EP disclosed
EP-0226973-A2 4-Bis(2'-hydroxyethyl)amino-1-(3'-hydroxypropyl)amino-2-nitro-benzene, process for its preparation and means for dyeing hair Wella Aktiengesellschaft (DE) 1987-07-01 EP disclosed