SCHEMBL7360962

SCHEMBL7360962

COc1c(C(=O)N(C)OC)cc(Cl)c(N)c1OC

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 3/20 0.38
HSP90AA1 P07900 3/20 0.38
SLC6A3 Q01959 1/20 0.36
ALDH1A1 P00352 2/20 0.36
GLA P06280 1/20 0.36
HPGD P15428 1/20 0.36
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ACHE P22303 1/20 0.34
HTR4 Q13639 1/20 0.34
HSD11B1 P28845 1/20 0.33
TPMT P51580 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
SCHEMBL6775493 0.79 HSD17B10 (0.46) KDM4EPOLBGAAALDH1A1HPGD
SCHEMBL7358999 0.79 KDM4E (0.44) KDM4EPOLBGAAALDH1A1HPGD
SCHEMBL8569535 0.78 KDM4E (0.43) KDM4EGAAHSP90AA1SLC6A3ALDH1A1
SCHEMBL6771563 0.78 KDM4E (0.58) KDM4EPOLBGAAALDH1A1GLA
SCHEMBL24611020 0.76 ALDH1A1 (0.43) KDM4EPOLBGAASLC6A3ALDH1A1
SCHEMBL7356591 0.76 GAA (0.63) GAAALDH1A1GLAHTR4
SCHEMBL7351281 0.74 HTR4 (0.48) KDM4ESLC6A3ALDH1A1ACHEHTR4
SCHEMBL8569184 0.73 GAA (0.44) KDM4EGAAHSP90AA1SLC6A3ALDH1A1
SCHEMBL21050898 0.73 MEN1 (0.46) KDM4EPOLBGAAHSP90AA1SLC6A3
SCHEMBL31419843 0.72 ALDH1A1 (0.53) KDM4EGAASLC6A3ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0700383-B1 NOVEL 1-PHENYLALKANONE 5-HT 4? RECEPTOR LIGANDS SYNTEX INC (US) 1998-09-23 EP disclosed
US-5763458-A NERVOUS SYSTEM DISORDERS, ANXIETY, ANTIDEPRESSANTS AND COGNITION ACTIVATORS SYNTEX (U.S.A.) INC. (US) 1998-06-09 US disclosed
WO-1994027965-A1 NOVEL 1-PHENYLALKANONE 5-HT4 RECEPTOR LIGANDS SYNTEX (U.S.A.) INC. (US) 1994-12-08 WO disclosed