SCHEMBL6931599

SCHEMBL6931599

COc1cccc(C2=NN(c3ccc([N+](=O)[O-])cc3)C(=O)C2(O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.46
MEN1 O00255 8/20 0.46
MAPT P10636 5/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
ALDH1A1 P00352 3/20 0.46
POLB P06746 1/20 0.46
NPC1 O15118 4/20 0.43
LMNA P02545 4/20 0.43
RAB9A P51151 2/20 0.43
CASP3 P42574 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
KEAP1 Q14145 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MAOB P27338 1/20 0.43
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
GAA P10253 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6932783 0.89 MAPT (0.48) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6930303 0.88 LMNA (0.44) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6931197 0.87 MEN1 (0.48) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6931194 0.87 MAPT (0.45) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6932694 0.87 MAPT (0.42) MAPTSMN1; SMN2NPC1LMNARAB9A
SCHEMBL6935089 0.84 CNR1 (0.46) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL6933095 0.83 MAPT (0.54) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6935614 0.82 ALDH1A1 (0.46) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL8495131 0.80 ACHE (0.41) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1
SCHEMBL6935518 0.79 ACHE (0.46) KMT2AMEN1MAPTSMN1; SMN2ALDH1A1

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