SCHEMBL11266099

SCHEMBL11266099

NC(O)Cc1ccc(O)cc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.44
ALOX12 P18054 1/20 0.44
SNCA P37840 2/20 0.42
BACE1 P56817 2/20 0.41
EGFR P00533 2/20 0.40
CYP1A2 P05177 1/20 0.40
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PDK1 Q15118 1/20 0.39
MAPK1 P28482 1/20 0.38
HSD17B10 Q99714 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL7155802 0.84 ALOX15 (0.51) ALOX15ALOX12SNCABACE1EGFR
SCHEMBL385177 0.83 GRIA2 (0.51) ALOX15CYP1A2HSD17B10L3MBTL1
SCHEMBL385176 0.83 GRIA2 (0.51) ALOX15CYP1A2HSD17B10L3MBTL1
SCHEMBL28760029 0.80 SNCA (0.47) ALOX15ALOX12SNCABACE1EGFR
SCHEMBL16969066 0.78 SNCA (0.46) ALOX15ALOX12SNCABACE1EGFR
SCHEMBL28204498 0.78 ALDH1A1 (0.55) L3MBTL1
SCHEMBL9383321 0.78 SNCA (0.48) ALOX15ALOX12SNCABACE1EGFR
SCHEMBL9281293 0.78 PDK1 (0.55) ALOX15ALOX12SNCABACE1EGFR
SCHEMBL5929428 0.76 ALDH1A1 (0.56) ALOX15ALOX12SNCABACE1EGFR
SCHEMBL28135355 0.76 SNCA (0.47) ALOX15ALOX12SNCABACE1EGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4305717-A P-PHENYLENEDIAMINE OXIDIZING BASE AND COUPLER TO FORM INDAMINES L'OREAL (FR) 1981-12-15 US claimed
US-4152112-A Dyeing composition for keratinic fibers containing paraphenylenediamines L'OREAL (FR) 1979-05-01 US claimed
US-4125367-A FOR KERATINIC FIBERS L'OREAL (FR) 1978-11-14 US claimed
US-4329504-A COUPLERS FOR DYES, HAIR DYES SOCIETE ANONYME DITE: L'OREAL (FR) 1982-05-11 US disclosed
US-4305717-A P-PHENYLENEDIAMINE OXIDIZING BASE AND COUPLER TO FORM INDAMINES L'OREAL (FR) 1981-12-15 US disclosed
US-4277244-A Dye compositions for keratinic fibers containing paraphenylenediamines SOCIETE ANONYME DITE: L'OREAL (FR) 1981-07-07 US disclosed
US-4259261-A OXIDATION COLOR DYES FOR HAIR L'OREAL (FR) 1981-03-31 US disclosed
US-4152112-A Dyeing composition for keratinic fibers containing paraphenylenediamines L'OREAL (FR) 1979-05-01 US disclosed
US-4125367-A FOR KERATINIC FIBERS L'OREAL (FR) 1978-11-14 US disclosed