SCHEMBL6939459

SCHEMBL6939459

COc1cc(N(O)C(=O)C[n+]2ccccc2)ccc1N

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 4/20 0.43
ALDH1A1 P00352 4/20 0.43
HSP90AA1 P07900 1/20 0.43
PKM P14618 1/20 0.42
HTT P42858 2/20 0.40
CYP3A4 P08684 2/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
BACE1 P56817 1/20 0.38
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
APP P05067 1/20 0.35

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 SCHEMBL6943412 0.99 POLB (0.47) POLBSMN1; SMN2KMT2AALDH1A1HSP90AA1
SCHEMBL6941713 0.87 POLB (0.45) POLBSMN1; SMN2KMT2AALDH1A1HSP90AA1
Hydrochloric Acid SCHEMBL6941349 0.86 POLB (0.47) POLBSMN1; SMN2KMT2AALDH1A1HSP90AA1
SCHEMBL6943691 0.82 POLB (0.52) POLBSMN1; SMN2KMT2AALDH1A1HSP90AA1
SCHEMBL6940483 0.82 POLB (0.52) POLBSMN1; SMN2KMT2AALDH1A1HSP90AA1
SCHEMBL6942054 0.82 HSP90AA1 (0.48) POLBHSP90AA1PKMBACE1
Hydrochloric Acid SCHEMBL6941921 0.81 POLB (0.54) POLBSMN1; SMN2KMT2AALDH1A1HSP90AA1
Hydrochloric Acid SCHEMBL6946250 0.81 POLB (0.54) POLBSMN1; SMN2KMT2AALDH1A1HSP90AA1
Hydrochloric Acid SCHEMBL6938925 0.81 HSP90AA1 (0.50) POLBSMN1; SMN2KMT2AHSP90AA1PKM
SCHEMBL6574119 0.80 MEN1 (0.36) KMT2AALDH1A1HTTCYP3A4RECQL

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