SCHEMBL6944670

SCHEMBL6944670

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.38
PABPC1 P11940 1/20 0.38
LMNA P02545 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HSP90AA1 P07900 1/20 0.34
KMT2A Q03164 6/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 3/20 0.33
POLB P06746 2/20 0.33
USP2 O75604 1/20 0.33
THRB P10828 1/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
MCL1 Q07820 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ACHE P22303 2/20 0.33
ALDH1A1 P00352 3/20 0.32
MAPK1 P28482 3/20 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 SCHEMBL6939400 0.99 LMNA (0.38) RAB9APABPC1LMNAKDM4EHSP90AA1
SCHEMBL6946228 0.83 KDM4E (0.41) RAB9APABPC1LMNAKDM4EHSP90AA1
Hydrochloric Acid SCHEMBL6573230 0.82 HSP90AA1 (0.42) RAB9APABPC1LMNAKDM4EHSP90AA1
SCHEMBL6939386 0.80 TDP1 (0.46) RAB9AHSP90AA1KMT2AMAPTMEN1
SCHEMBL6944450 0.80 LMNA (0.44) RAB9APABPC1LMNAKDM4EHSP90AA1
Hydrochloric Acid SCHEMBL6944233 0.79 TDP1 (0.45) LMNAHSP90AA1KMT2AMEN1USP2
Hydrochloric Acid SCHEMBL6941749 0.79 LMNA (0.47) RAB9APABPC1LMNAKDM4EHSP90AA1
SCHEMBL6575602 0.78 MEN1 (0.40) KMT2AMEN1RECQL
SCHEMBL6944437 0.73 HSP90AA1 (0.47) RAB9APABPC1KDM4EHSP90AA1KMT2A
SCHEMBL6940502 0.71 PABPC1 (0.42) RAB9APABPC1LMNAKDM4EHSP90AA1

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