SCHEMBL6572944

SCHEMBL6572944

COc1cccc(N(O)C(=O)Cn2cc[n+](CC(=O)N(O)c3cccc(OC)c3)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 11/20 0.40
MTNR1A P48039 10/20 0.40
MEN1 O00255 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
POLB P06746 1/20 0.37
HPGD P15428 1/20 0.37

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 SCHEMBL6573026 0.99 MTNR1B (0.40) MTNR1BMTNR1AMEN1RECQLKMT2A
SCHEMBL6943681 0.86 MTNR1B (0.42) MTNR1BMTNR1APOLBHPGD
Hydrochloric Acid SCHEMBL6945659 0.85 MTNR1B (0.41) MTNR1BMTNR1APOLBHPGD
SCHEMBL6574244 0.83 MEN1 (0.36) MEN1RECQLKMT2A
SCHEMBL6573839 0.83 MEN1 (0.44) MEN1RECQLKMT2A
Hydrochloric Acid SCHEMBL6575297 0.83 KMT2A (0.36) MEN1RECQLKMT2APOLB
Hydrochloric Acid SCHEMBL6574235 0.83 MEN1 (0.36) MEN1RECQLKMT2APOLB
SCHEMBL6574295 0.82 KMT2A (0.53) MEN1RECQLKMT2APOLBHPGD
Hydrochloric Acid SCHEMBL6572775 0.82 MEN1 (0.43) MEN1RECQLKMT2A
SCHEMBL6942054 0.81 HSP90AA1 (0.48) MTNR1BMTNR1APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1066263-B1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS OREAL (FR) 2004-05-26 EP claimed
EP-1066263-B1 NOVEL CATIONIC 2-ACYLAMINOPHENOLS, THEIR USE AS COUPLER FOR OXIDATION DYEING, COMPOSITIONS CONTAINING THEM, AND DYEING METHODS OREAL (FR) 2004-05-26 EP disclosed