SCHEMBL6944443

SCHEMBL6944443

Nc1ccc(NC(=O)C[n+]2ccccc2)c(O)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 6/20 0.52
▸ ALDH1A1 P00352 5/20 0.52
▸ L3MBTL1 Q9Y468 3/20 0.52
▸ MAPK1 P28482 2/20 0.52
▸ LMNA P02545 1/20 0.50
▸ POLB P06746 3/20 0.49
▸ HSP90AA1 P07900 3/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ MAPT P10636 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ HTT P42858 1/20 0.44
▸ BACE1 P56817 1/20 0.41
▸ TDP1 Q9NUW8 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 SCHEMBL6941359 0.99 KMT2A (0.55) KMT2AALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL6939800 0.84 HSP90AA1 (0.55) KMT2AALDH1A1L3MBTL1MAPK1LMNA
Hydrochloric Acid SCHEMBL6942865 0.83 HSP90AA1 (0.57) KMT2AALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL6945417 0.83 CXCR2 (0.54) KMT2AALDH1A1L3MBTL1MAPK1POLB
Hydrochloric Acid SCHEMBL6940012 0.82 BACE1 (0.55) KMT2AALDH1A1L3MBTL1MAPK1POLB
SCHEMBL6944428 0.80 KMT2A (0.68) KMT2AALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL6940573 0.80 HSP90AA1 (0.51) KMT2AALDH1A1L3MBTL1MAPK1POLB
Hydrochloric Acid SCHEMBL6940027 0.79 KMT2A (0.70) KMT2AALDH1A1L3MBTL1MAPK1LMNA
SCHEMBL6940493 0.79 ALDH1A1 (0.55) KMT2AALDH1A1L3MBTL1MAPK1LMNA
Hydrochloric Acid SCHEMBL6944452 0.79 HSP90AA1 (0.53) 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
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