SCHEMBL6944645

SCHEMBL6944645

Cc1c(Cl)cc(N(O)C(=O)C[n+]2ccccc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
PABPC1 P11940 1/20 0.41
BACE1 P56817 2/20 0.36
HTT P42858 1/20 0.35
HSP90AA1 P07900 2/20 0.34
LMNA P02545 1/20 0.34
ACHE P22303 1/20 0.33

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 SCHEMBL6942172 0.99 KMT2A (0.46) KMT2AL3MBTL1MEN1POLBALDH1A1
SCHEMBL6942745 0.85 KMT2A (0.43) KMT2AL3MBTL1MEN1POLBALDH1A1
SCHEMBL6941688 0.85 SMN1; SMN2 (0.45) KMT2AL3MBTL1MEN1POLBALDH1A1
Hydrochloric Acid SCHEMBL6941540 0.84 KMT2A (0.46) KMT2AL3MBTL1MEN1POLBALDH1A1
Hydrochloric Acid SCHEMBL6946554 0.83 SMN1; SMN2 (0.44) KMT2AL3MBTL1MEN1POLBALDH1A1
SCHEMBL6940425 0.82 KMT2A (0.54) KMT2AL3MBTL1MEN1POLBALDH1A1
Hydrochloric Acid SCHEMBL6941800 0.81 KMT2A (0.56) KMT2AL3MBTL1MEN1POLBALDH1A1
SCHEMBL6940687 0.81 KMT2A (0.53) KMT2AL3MBTL1MEN1POLBALDH1A1
Hydrochloric Acid SCHEMBL6944748 0.80 KMT2A (0.55) KMT2AL3MBTL1MEN1POLBALDH1A1
SCHEMBL6940502 0.80 PABPC1 (0.42) KMT2AL3MBTL1MEN1POLBALDH1A1

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