SCHEMBL9652783

SCHEMBL9652783

O=[N+]([O-])c1ccc(O)cc1NCCO

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.56
MAPT P10636 6/20 0.55
ALDH1A1 P00352 3/20 0.52
TSHR P16473 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
PKM P14618 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
KMT2A Q03164 1/20 0.48
BACE1 P56817 1/20 0.48
KAT2B Q92831 1/20 0.47
EGFR P00533 1/20 0.43
GSTM2 P28161 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
SCHEMBL29410422 0.87 ALDH1A1 (0.63) RAB9AMAPTALDH1A1TSHRTDP1
SCHEMBL24055 0.87 ALDH1A1 (0.63) RAB9AMAPTALDH1A1TSHRTDP1
Bromide SCHEMBL28440810 0.86 ALDH1A1 (0.62) RAB9AMAPTALDH1A1TSHRTDP1
SCHEMBL2469830 0.86 MAPT (0.59) MAPTALDH1A1NPSR1RXFP1KMT2A
Hydrochloric Acid SCHEMBL9760225 0.84 KAT2B (0.58) MAPTALDH1A1NPSR1RXFP1KMT2A
SCHEMBL2467753 0.84 ALDH1A1 (0.56) RAB9AMAPTALDH1A1TSHRTDP1
SCHEMBL6001854 0.84 TDP1 (0.56) RAB9AMAPTALDH1A1TSHRTDP1
SCHEMBL4980984 0.83 HCAR3 (0.58) MAPTALDH1A1TDP1PKMNPSR1
SCHEMBL10580375 0.83 MAPT (0.54) RAB9AMAPTALDH1A1TSHRTDP1
SCHEMBL8200406 0.83 ALDH1A1 (0.55) RAB9AMAPTALDH1A1TSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0352489-B1 USE OF 2,6-DINITROPHENOL DERIVATIVES IN HAIR DYEING COMPOSITIONS Wella Aktiengesellschaft (DE) 1992-06-17 EP disclosed
EP-0289782-B1 USE OF 2,6-DINITROANILIN DERIVATIVES IN HAIR DYEING COMPOSITIONS AND NEW 2,6-DINITROANILIN DERIVATIVES Wella Aktiengesellschaft (DE) 1992-03-04 EP disclosed
US-5037446-A 2-nitroaniline derivatives and hair dyeing compositions containing same WELLA AKTIENGESELLSCHAFT (DE) 1991-08-06 US disclosed
US-5030241-A Providing yellow and orange shades, with or without oxidation agent WELLA AKTIENGESELLSCHAFT (DE) 1991-07-09 US disclosed
EP-0182330-B1 USE OF 2-NITROANILINE DERIVATIVES AS HAIR DYEING AGENTS, AND 2-NITROANILINE DERIVATIVES Wella Aktiengesellschaft (DE) 1991-05-15 EP disclosed
US-4975093-A Hair dyeing compositions containing 2,6-dinitro-phenol-derivatives WELLA AKTIENGESELLSCHAFT (DE) 1990-12-04 US disclosed
EP-0352489-A2 Use of 2,6-dinitrophenol derivatives in hair dyeing compositions Wella Aktiengesellschaft (DE) 1990-01-31 EP disclosed
US-4835314-A 2-nitroaniline derivatives WELLA AKTIENGESELLSCHAFT (DE) 1989-05-30 US disclosed
WO-1988008696-A1 USE OF 2,6 DINITRO-ANILINE DERIVATIVES IN HAIR TINTING AGENTS AND NEW DERIVATIVES OF 2,6 DINITRO-ANILINE WELLA AKTIENGESELLSCHAFT (DE) 1988-11-17 WO disclosed
EP-0289782-A1 Use of 2,6-dinitroanilin derivatives in hair dyeing compositions and new 2,6-dinitroanilin derivatives Wella Aktiengesellschaft (DE) 1988-11-09 EP disclosed
US-4629467-A HIGH INTENSITY ALKALI RESISTANCE; YELLOW COLORING WELLA AKTIENGESELLSCHAFT (DE) 1986-12-16 US disclosed
EP-0182330-A2 Use of 2-nitroaniline derivatives as hair dyeing agents, and 2-nitroaniline derivatives Wella Aktiengesellschaft (DE) 1986-05-28 EP disclosed
EP-0150765-A2 Use of p-ureidoalkylamino nitrobenzene compounds in hair dyeing compositions and p-ureidoalkylamino nitrobenzene compounds Wella Aktiengesellschaft (DE) 1985-08-07 EP disclosed
WO-1985003223-A1 UTILIZATION OF COMPOUNDS OF p-UREIDOALKYLAMINO-NITROBENZENE IN HAIR COLORANTS AND NEW COMPOUNDS OF p-UREIDOALKYLAMINO-NITROBENZENE WELLA AKTIENGESELLSCHAFT (DE) 1985-08-01 WO disclosed