SCHEMBL6836535

SCHEMBL6836535

Cc1ccc(NCC(N)=O)c(O)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR2 P25025 2/20 0.46
▸ GAA P10253 8/20 0.45
▸ KMT2A Q03164 4/20 0.45
▸ ALDH1A1 P00352 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ TDP1 Q9NUW8 1/20 0.44
▸ NPC1 O15118 5/20 0.42
▸ RAB9A P51151 5/20 0.42
▸ MAPT P10636 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ TRPA1 O75762 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40

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 SCHEMBL9313034 0.98 CXCR2 (0.45) CXCR2GAAKMT2AALDH1A1KDM4E
SCHEMBL9749743 0.84 CXCR2 (0.51) CXCR2GAAKMT2AALDH1A1KDM4E
SCHEMBL28608254 0.79 CYP1A2 (0.51) CXCR2GAAKMT2AALDH1A1KDM4E
SCHEMBL28515684 0.78 KMT2A (0.57) CXCR2GAAKMT2AALDH1A1MEN1
SCHEMBL6836389 0.77 CXCR2 (0.63) CXCR2GAAKMT2AALDH1A1KDM4E
SCHEMBL11579609 0.76 TRPA1 (0.41) CXCR2GAAKMT2AALDH1A1KDM4E
SCHEMBL11211267 0.76 CYP3A4 (0.50) CXCR2GAAKMT2AALDH1A1KDM4E
SCHEMBL24714329 0.76 MAPT (0.57) GAAKMT2AALDH1A1KDM4EMEN1
SCHEMBL6836192 0.76 GAA (0.60) CXCR2GAAKMT2AMEN1LMNA
SCHEMBL6226347 0.74 KDM1A (0.49) GAAKMT2AALDH1A1KDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6752839-B1 2-SUBSTITUTED 5-AMINOALKYLPHENOL DERIVATIVE COUPLER AND PYRAZOLES, CERTAIN PYRIMIDINES AND/OR PYRAZOLOPYRIMIDINES BASES; CHROMATIC, STRONG, AESTHETIC COLORATIONS IN VARIETY OF SHADES L'OREAL (FR) 2004-06-22 — — US claimed
US-6530960-B1 Oxidative base at least one 2-substituted 5-aminoalkylphenol coupler; chromatic, strong, aesthetic colorations in a variety of shades L'OREAL S.A. (FR) 2003-03-11 — — US claimed
EP-1093788-A1 Oxydative dyeing composition for keratinic fibres and dyeing process using this composition L'OREAL (FR) 2001-04-25 — — EP claimed
EP-1093792-A1 Composition for oxidative dyeing of keratinous fibres and dyeing process using the same L'OREAL (FR) 2001-04-25 — — EP claimed
EP-1093793-A2 Composition for oxidative dyeing of keratinous fibres and dyeing process using same L'OREAL (FR) 2001-04-25 — — EP claimed
EP-1093791-A1 Composition for oxidative dyeing of keratinous fibres and dyeing process using same L'OREAL (FR) 2001-04-25 — — EP claimed
EP-1093789-A1 Composition for oxidative dyeing of keratinous fibres and dyeing process using the same L'OREAL (FR) 2001-04-25 — — EP claimed
EP-1093790-A2 Oxydative dyeing composition for keratinic fibres and dyeing process using this composition L'OREAL (FR) 2001-04-25 — — EP claimed
US-6752839-B1 2-SUBSTITUTED 5-AMINOALKYLPHENOL DERIVATIVE COUPLER AND PYRAZOLES, CERTAIN PYRIMIDINES AND/OR PYRAZOLOPYRIMIDINES BASES; CHROMATIC, STRONG, AESTHETIC COLORATIONS IN VARIETY OF SHADES L'OREAL (FR) 2004-06-22 — — US disclosed
US-6530960-B1 Oxidative base at least one 2-substituted 5-aminoalkylphenol coupler; chromatic, strong, aesthetic colorations in a variety of shades L'OREAL S.A. (FR) 2003-03-11 — — US disclosed
EP-1093788-A1 Oxydative dyeing composition for keratinic fibres and dyeing process using this composition L'OREAL (FR) 2001-04-25 — — EP disclosed
EP-1093792-A1 Composition for oxidative dyeing of keratinous fibres and dyeing process using the same L'OREAL (FR) 2001-04-25 — — EP disclosed
EP-1093789-A1 Composition for oxidative dyeing of keratinous fibres and dyeing process using the same L'OREAL (FR) 2001-04-25 — — EP disclosed
EP-1093791-A1 Composition for oxidative dyeing of keratinous fibres and dyeing process using same L'OREAL (FR) 2001-04-25 — — EP disclosed
EP-1093793-A2 Composition for oxidative dyeing of keratinous fibres and dyeing process using same L'OREAL (FR) 2001-04-25 — — EP disclosed
EP-1093790-A2 Oxydative dyeing composition for keratinic fibres and dyeing process using this composition L'OREAL (FR) 2001-04-25 — — EP disclosed
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