SCHEMBL8647818

SCHEMBL8647818

O=[N+]([O-])c1cc(N(CCCO)CCCO)ccc1NCCO

nearest known ligand 0.85

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.85
TSHR P16473 1/20 0.85
TDP1 Q9NUW8 1/20 0.85
PKM P14618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.47
MAPT P10636 3/20 0.47
PRSS1 P07477 4/20 0.46
NPSR1 Q6W5P4 1/20 0.46
RAB9A P51151 2/20 0.45
HCAR3 P49019 3/20 0.44
KAT2B Q92831 2/20 0.44
KMT2A Q03164 1/20 0.44

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 SCHEMBL8657481 0.99 ALDH1A1 (0.83) ALDH1A1TSHRTDP1PKMSMN1; SMN2
SCHEMBL8653805 0.95 ALDH1A1 (0.76) ALDH1A1TSHRTDP1PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL8645145 0.94 ALDH1A1 (0.74) ALDH1A1TSHRTDP1PKMSMN1; SMN2
SCHEMBL8653764 0.93 ALDH1A1 (0.73) ALDH1A1TSHRTDP1PKMSMN1; SMN2
SCHEMBL8655630 0.92 ALDH1A1 (0.81) ALDH1A1TSHRTDP1PKMSMN1; SMN2
SCHEMBL29829407 0.92 ALDH1A1 (1.00) ALDH1A1TSHRTDP1PKMSMN1; SMN2
SCHEMBL109266 0.92 ALDH1A1 (1.00) ALDH1A1TSHRTDP1PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL8643503 0.92 ALDH1A1 (0.72) ALDH1A1TSHRTDP1PKMSMN1; SMN2
Hydrochloric Acid SCHEMBL8657350 0.91 ALDH1A1 (0.79) ALDH1A1TSHRTDP1PKMSMN1; SMN2
SCHEMBL198602 0.90 ALDH1A1 (0.85) ALDH1A1TSHRTDP1PKMSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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
US-5792221-A DYEING GRAY TO WHITE HAIR BLUE THROUGH PURPLISH-BLUE SHADES; WATER SOLUBILITY; WASH- AND COLORFASTNESS; WEATHERPROOFING; SWEAT RESISTANCE L'OREAL (FR) 1998-08-11 US 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