SCHEMBL6933141

SCHEMBL6933141

CN1N=C(c2cccc([N+](=O)[O-])c2)C(O)(O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 3/20 0.43
ALDH1A1 P00352 2/20 0.43
PKM P14618 1/20 0.43
MAPT P10636 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
PSMB8 P28062 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
GLP1R P43220 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CFTR P13569 1/20 0.41

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
SCHEMBL6936622 0.85 ALDH1A1 (0.44) PGRALDH1A1PKMMAPTNPC1
SCHEMBL6935772 0.84 PGR (0.44) PGRALDH1A1PKMMAPTNPC1
SCHEMBL6933583 0.84 CFTR (0.45) PGRALDH1A1PKMMAPTNPC1
SCHEMBL6935614 0.82 ALDH1A1 (0.46) ALDH1A1PKMMAPTNPC1RAB9A
SCHEMBL6931194 0.81 MAPT (0.45) ALDH1A1MAPTNPC1RAB9ANPSR1
SCHEMBL6935448 0.81 CNR2 (0.42) ALDH1A1MAPTNPC1RAB9AMMP2
SCHEMBL6935775 0.78 CFTR (0.48) PGRALDH1A1MAPTMAPK1NPSR1
SCHEMBL6933114 0.78 CNR1 (0.46) ALDH1A1MAPTRAB9AMAPK1NPSR1
SCHEMBL6932783 0.78 MAPT (0.48) ALDH1A1PKMMAPTNPC1RAB9A
SCHEMBL6930686 0.77 BACE1 (0.40) ALDH1A1NPC1RAB9ALMNASMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5958382-A ARTIFICIAL TANNING AND/OR COLORING OF HUMAN SKIN AND/OR HAIR SOCIETE L'OREAL S.A. (FR) 1999-09-28 US claimed
EP-0903342-B1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics OREAL (FR) 2003-12-17 EP disclosed
US-5958382-A ARTIFICIAL TANNING AND/OR COLORING OF HUMAN SKIN AND/OR HAIR SOCIETE L'OREAL S.A. (FR) 1999-09-28 US disclosed
EP-0903342-A1 4,4-Dihydroxypyrazolin-5-one compounds, procedures for their preparation and their use as cosmetics L'OREAL (FR) 1999-03-24 EP disclosed