SCHEMBL6943691

SCHEMBL6943691

COc1cc(N(O)C(=O)C[n+]2ccccc2)ccc1NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 4/20 0.52
HSP90AA1 P07900 1/20 0.44
HSD17B1 P14061 1/20 0.44
HSD17B2 P37059 1/20 0.44
MEN1 O00255 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 2/20 0.41
MAPT P10636 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
HTT P42858 1/20 0.39
BACE1 P56817 1/20 0.39

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 SCHEMBL6941921 0.99 POLB (0.54) POLBALDH1A1KMT2AHSP90AA1HSD17B1
SCHEMBL6940483 0.91 POLB (0.52) POLBALDH1A1KMT2AHSP90AA1MEN1
Hydrochloric Acid SCHEMBL6946250 0.90 POLB (0.54) POLBALDH1A1KMT2AHSP90AA1MEN1
SCHEMBL6945414 0.84 POLB (0.43) POLBALDH1A1KMT2AHSP90AA1MEN1
Hydrochloric Acid SCHEMBL6943286 0.83 POLB (0.45) POLBALDH1A1KMT2AHSP90AA1MEN1
SCHEMBL6571520 0.82 CYP1A2 (0.40) POLBALDH1A1KMT2AHSD17B1HSD17B2
SCHEMBL6941713 0.82 POLB (0.45) POLBALDH1A1KMT2AHSP90AA1MEN1
SCHEMBL6939459 0.82 POLB (0.45) POLBALDH1A1KMT2AHSP90AA1SMN1; SMN2
Hydrochloric Acid SCHEMBL6572979 0.81 CYP1A2 (0.39) POLBALDH1A1KMT2AHSD17B1HSD17B2
Hydrochloric Acid SCHEMBL6941349 0.81 POLB (0.47) POLBALDH1A1KMT2AHSP90AA1SMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP claimed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP claimed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO claimed
EP-1066022-B1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS OREAL (FR) 2003-10-22 EP disclosed
EP-1066022-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2001-01-10 EP disclosed
WO-2000042979-A1 COMPOSITIONS FOR OXIDATION DYEING KERATIN FIBRES COMPRISING A CATIONIC COUPLER, NOVEL CATIONIC COUPLERS, THEIR USE FOR OXIDATION DYEING AND DYEING METHODS L'OREAL (FR) 2000-07-27 WO disclosed