SCHEMBL6940204

SCHEMBL6940204

O=C(C[n+]1ccccc1)Nc1cccc(NC(=O)C[n+]2ccccc2)c1O

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.65
ALDH1A1 P00352 4/20 0.65
L3MBTL1 Q9Y468 3/20 0.65
MAPK1 P28482 2/20 0.65
POLB P06746 2/20 0.60
HSP90AA1 P07900 3/20 0.50
MEN1 O00255 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
BACE1 P56817 1/20 0.47
LMNA P02545 3/20 0.46
ACHE P22303 2/20 0.46
KDM4E B2RXH2 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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 SCHEMBL6943270 0.98 KMT2A (0.68) KMT2AALDH1A1L3MBTL1MAPK1POLB
SCHEMBL6944642 0.92 KMT2A (0.57) KMT2AALDH1A1L3MBTL1MAPK1POLB
Hydrochloric Acid SCHEMBL6940793 0.91 KMT2A (0.59) KMT2AALDH1A1L3MBTL1MAPK1POLB
SCHEMBL7022552 0.87 KMT2A (0.55) KMT2AALDH1A1L3MBTL1MAPK1POLB
SCHEMBL7022162 0.85 KMT2A (0.53) KMT2AALDH1A1L3MBTL1MAPK1POLB
Hydrochloric Acid SCHEMBL7028394 0.85 KMT2A (0.57) KMT2AALDH1A1L3MBTL1MAPK1POLB
SCHEMBL6944428 0.85 KMT2A (0.68) KMT2AALDH1A1L3MBTL1MAPK1POLB
Hydrochloric Acid SCHEMBL7024941 0.84 KMT2A (0.56) KMT2AALDH1A1L3MBTL1MAPK1POLB
Hydrochloric Acid SCHEMBL6940027 0.83 KMT2A (0.70) KMT2AALDH1A1L3MBTL1MAPK1POLB
SCHEMBL7019932 0.81 KMT2A (0.49) KMT2AALDH1A1L3MBTL1MAPK1POLB

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