SCHEMBL6940483

SCHEMBL6940483

COC(=O)Nc1ccc(N(O)C(=O)C[n+]2ccccc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.52
ALDH1A1 P00352 4/20 0.52
KMT2A Q03164 4/20 0.52
HSP90AA1 P07900 1/20 0.44
PKM P14618 2/20 0.43
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MAPT P10636 1/20 0.40
BACE1 P56817 1/20 0.39
HPGD P15428 1/20 0.38
MEN1 O00255 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
Hydrochloric Acid SCHEMBL6946250 0.99 POLB (0.54) POLBALDH1A1KMT2AHSP90AA1PKM
SCHEMBL6943691 0.91 POLB (0.52) POLBALDH1A1KMT2AHSP90AA1PKM
Hydrochloric Acid SCHEMBL6941921 0.90 POLB (0.54) POLBALDH1A1KMT2AHSP90AA1PKM
SCHEMBL6939441 0.86 ALDH1A1 (0.43) POLBALDH1A1KMT2AHSP90AA1HTT
Hydrochloric Acid SCHEMBL6938954 0.85 ALDH1A1 (0.45) POLBALDH1A1KMT2AHSP90AA1HTT
SCHEMBL7805138 0.82 CYP1A2 (0.40) POLBALDH1A1KMT2APKMHTT
SCHEMBL6941713 0.82 POLB (0.45) POLBALDH1A1KMT2AHSP90AA1PKM
SCHEMBL6939459 0.82 POLB (0.45) POLBALDH1A1KMT2AHSP90AA1PKM
Hydrochloric Acid SCHEMBL7632203 0.81 CYP1A2 (0.39) POLBALDH1A1KMT2APKMHTT
Hydrochloric Acid SCHEMBL6941349 0.81 POLB (0.47) POLBALDH1A1KMT2AHSP90AA1PKM

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