SCHEMBL6935448

SCHEMBL6935448

CCCCCCCCN1N=C(c2cccc([N+](=O)[O-])c2)C(O)(O)C1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.42
CFTR P13569 2/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
MAOA P21397 4/20 0.41
MAOB P27338 4/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
LMNA P02545 1/20 0.40
CNR1 P21554 1/20 0.40
GPR55 Q9Y2T6 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
CDC25B P30305 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
SCHEMBL6933583 0.87 CFTR (0.45) CFTRALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL6936097 0.81 KDM4E (0.45) MAPTNPSR1HTTLMNA
SCHEMBL6932869 0.81 TLR8 (0.46) CNR2CNR1
SCHEMBL6933141 0.81 PGR (0.43) CFTRALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL6935775 0.79 CFTR (0.48) CFTRALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL7611396 0.77 CNR2 (0.44) CNR2CFTRALDH1A1MAPTMAPK1
SCHEMBL6936622 0.76 ALDH1A1 (0.44) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6935772 0.75 PGR (0.44) ALDH1A1MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL6935614 0.73 ALDH1A1 (0.46) ALDH1A1MAPTMAPK1SMN1; SMN2NPC1
SCHEMBL6934383 0.73 SMPD1 (0.43) CNR2ALDH1A1MAPTSMN1; SMN2NPC1

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