SCHEMBL6942745

SCHEMBL6942745

Nc1c(Cl)cc(N(O)C(=O)C[n+]2ccccc2)cc1Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 5/20 0.43
L3MBTL1 Q9Y468 3/20 0.43
MEN1 O00255 3/20 0.43
MAPK1 P28482 2/20 0.43
RAB9A P51151 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
PABPC1 P11940 1/20 0.41
BACE1 P56817 1/20 0.36
HSP90AA1 P07900 1/20 0.34
KDM4E B2RXH2 4/20 0.33
ACHE P22303 2/20 0.33
GAA P10253 2/20 0.33
HPGD P15428 2/20 0.33
GLA P06280 1/20 0.33
LMNA P02545 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32

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 SCHEMBL6941540 0.99 KMT2A (0.46) KMT2AALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL6940502 0.86 PABPC1 (0.42) KMT2AALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL6944645 0.85 KMT2A (0.43) KMT2AALDH1A1L3MBTL1MEN1MAPK1
Hydrochloric Acid SCHEMBL6945717 0.85 KMT2A (0.44) KMT2AALDH1A1L3MBTL1MEN1MAPK1
Hydrochloric Acid SCHEMBL6942172 0.84 KMT2A (0.46) KMT2AALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL6940425 0.80 KMT2A (0.54) KMT2AALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL6941688 0.79 SMN1; SMN2 (0.45) KMT2AALDH1A1L3MBTL1MEN1MAPK1
Hydrochloric Acid SCHEMBL6941800 0.79 KMT2A (0.56) KMT2AALDH1A1L3MBTL1MEN1MAPK1
SCHEMBL6940687 0.79 KMT2A (0.53) KMT2AALDH1A1L3MBTL1MEN1MAPK1
Hydrochloric Acid SCHEMBL6946554 0.78 SMN1; SMN2 (0.44) KMT2AALDH1A1L3MBTL1MEN1MAPK1

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