SCHEMBL7293290

SCHEMBL7293290

COc1ccc(OCC(O)CN2CCN(C(C(N)=O)c3c(Cl)cccc3Cl)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.55
KDM4E B2RXH2 1/20 0.55
POLB P06746 1/20 0.55
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
HTR7 P34969 1/20 0.53
CYP2D6 P10635 12/20 0.52

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
SCHEMBL7281734 0.89 CYP2D6 (0.58) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL7282171 0.88 KMT2A (0.59) MAPTKDM4EMEN1KMT2AMAPK1
SCHEMBL7288820 0.85 CYP2D6 (0.64) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL7288797 0.84 CYP2D6 (0.65) KDM4EPOLBMEN1KMT2AMAPK1
SCHEMBL7282666 0.84 RECQL (0.57) MAPTKMT2AMAPK1HTR7
SCHEMBL7278993 0.84 USP2 (0.55) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL10835709 0.83 CYP2D6 (0.66) KDM4EPOLBMEN1KMT2AMAPK1
SCHEMBL10835718 0.81 USP2 (0.64) MAPTKDM4EMEN1KMT2ACYP2D6
SCHEMBL7282440 0.81 TP53 (0.62) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL7283526 0.80 L3MBTL1 (0.60) KDM4EMEN1KMT2AL3MBTL1CYP2D6

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
US-4567264-A ADRENERGIC BLOCKING AGENTS SYNTEX (U.S.A.) INC. (US) 1986-01-28 US disclosed
EP-0126449-A1 Cardioselective aryloxy- and arylthio-hydroxypropyl piperazinyl acetanilides wich affect calcium entry SYNTEX (U.S.A.) INC. (US) 1984-11-28 EP disclosed