SCHEMBL8655630

SCHEMBL8655630

O=[N+]([O-])c1cc(N(CCO)CCCO)ccc1NCCCO

nearest known ligand 0.81

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.81
▸ TSHR P16473 1/20 0.81
▸ TDP1 Q9NUW8 1/20 0.81
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ PRSS1 P07477 4/20 0.47
▸ HCAR3 P49019 3/20 0.45
▸ KAT2B Q92831 4/20 0.45
▸ MAPT P10636 3/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ GSTM2 P28161 1/20 0.44
▸ PKM P14618 2/20 0.43
▸ POLB P06746 1/20 0.43

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
Hydrochloric Acid SCHEMBL8657350 0.99 ALDH1A1 (0.79) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
SCHEMBL8653805 0.97 ALDH1A1 (0.76) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
SCHEMBL30808004 0.97 ALDH1A1 (0.85) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
SCHEMBL198602 0.97 ALDH1A1 (0.85) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
Hydrochloric Acid SCHEMBL8645145 0.96 ALDH1A1 (0.74) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
Hydrochloric Acid SCHEMBL9820092 0.96 ALDH1A1 (0.83) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
SCHEMBL8647818 0.92 ALDH1A1 (0.85) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
SCHEMBL8654774 0.92 ALDH1A1 (0.76) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
Hydrochloric Acid SCHEMBL8657481 0.91 ALDH1A1 (0.83) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1
Hydrochloric Acid SCHEMBL8645118 0.91 ALDH1A1 (0.74) ALDH1A1TSHRTDP1SMN1; SMN2PRSS1

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-0646108-B1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES OREAL (FR) 1998-10-14 — — EP disclosed
EP-0646108-A1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1995-04-05 — — EP disclosed
WO-1994000414-A1 HYDROXYPROPYLATED 2-NITRO-P-PHENYLENEDIAMINES, PREPARATION METHOD THEREFOR AND USE THEREOF FOR DYEING KERATIN FIBRES L'OREAL (FR) 1994-01-06 — — WO disclosed
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