SCHEMBL6232831

SCHEMBL6232831

CC(=O)Nc1ccc(O)c(CN2CCN(Cc3cc(NC(C)=O)ccc3O)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.51
HTT P42858 1/20 0.51
KMT2A Q03164 1/20 0.51
FAAH O00519 2/20 0.50
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
BACE1 P56817 1/20 0.48
BTK Q06187 1/20 0.47
POLB P06746 1/20 0.47
MOK Q9UQ07 1/20 0.46
ACHE P22303 1/20 0.45
PKM P14618 1/20 0.45

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
SCHEMBL28837435 0.94 KDM4E (0.61) KDM4EALDH1A1MEN1KMT2AGAA
SCHEMBL7768342 0.90 CHRM3 (0.48) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL22791958 0.89 BTK (0.45) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL30105719 0.86 HTR1A (0.41) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL2014741 0.82 KDM4E (0.61) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL31198180 0.80 POLB (0.58) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL18491364 0.79 MOK (0.55) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL18998868 0.79 ABL1 (0.44) KDM4EALDH1A1BTK
SCHEMBL6273594 0.77 ALDH1A1 (0.57) KDM4EALDH1A1MEN1HTTKMT2A
SCHEMBL28627643 0.76 EGFR (0.57) KDM4EALDH1A1MEN1HTTKMT2A

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-1292270-B1 Oxidative Dyeing Agent comprising 2-Hydroxy-5-Aminobenzyl-Piperazine as Developer HENKEL KGAA (DE) 2005-04-20 EP disclosed
EP-1292270-A1 OXIDATION DYEING AGENT Henkel Kommanditgesellschaft auf Aktien (DE) 2003-03-19 EP disclosed