SCHEMBL6946127

SCHEMBL6946127

COC(=O)Nc1ccc(N(O)C(=O)C[n+]2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.53
MAPT P10636 3/20 0.51
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 1/20 0.44
BACE1 P56817 2/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.42
GFER P55789 2/20 0.41
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 1/20 0.40
NR3C1 P04150 1/20 0.40

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 SCHEMBL6943586 0.99 HSP90AA1 (0.55) HSP90AA1MAPTKMT2ASMN1; SMN2HPGD
SCHEMBL6940581 0.86 HSP90AA1 (0.50) HSP90AA1MAPTKMT2ASMN1; SMN2HPGD
SCHEMBL6939815 0.86 KMT2A (0.59) HSP90AA1KMT2ASMN1; SMN2BACE1POLB
Hydrochloric Acid SCHEMBL7073691 0.85 KMT2A (0.52) HSP90AA1MAPTKMT2ASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL6942876 0.85 KMT2A (0.61) HSP90AA1KMT2ASMN1; SMN2BACE1POLB
SCHEMBL6939441 0.81 ALDH1A1 (0.43) HSP90AA1MAPTKMT2AHPGDBACE1
SCHEMBL6940483 0.81 POLB (0.52) HSP90AA1MAPTKMT2ASMN1; SMN2HPGD
Hydrochloric Acid SCHEMBL6946250 0.80 POLB (0.54) HSP90AA1MAPTKMT2ASMN1; SMN2BACE1
Hydrochloric Acid SCHEMBL6938954 0.80 ALDH1A1 (0.45) HSP90AA1MAPTKMT2ASMN1; SMN2BACE1
SCHEMBL6572655 0.80 MAPT (0.44) HSP90AA1MAPTKMT2ASMN1; SMN2HPGD

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