SCHEMBL7279366

SCHEMBL7279366

COc1cc(OC)cc(C(C(N)=O)N2CCN(CC(O)COc3ccc(SC)cc3)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 7/20 0.49
KDM4E B2RXH2 2/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TP53 P04637 2/20 0.47
GLA P06280 1/20 0.46
USP2 O75604 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CACNA1G O43497 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
SCHEMBL7282602 0.87 MEN1 (0.56) CYP2D6POLBMAPTMEN1KMT2A
SCHEMBL7288820 0.85 CYP2D6 (0.64) CYP2D6KDM4EPOLBMAPTMEN1
SCHEMBL7288557 0.83 CYP2D6 (0.53) CYP2D6MAPTMEN1KMT2ATP53
SCHEMBL7288797 0.82 CYP2D6 (0.65) CYP2D6KDM4EPOLBMEN1KMT2A
SCHEMBL7280914 0.82 CYP2D6 (0.52) CYP2D6KDM4EMAPTMEN1KMT2A
SCHEMBL7291959 0.81 KMT2A (0.51) CYP2D6KDM4EMAPTMEN1KMT2A
SCHEMBL10835709 0.81 CYP2D6 (0.66) CYP2D6KDM4EPOLBMEN1KMT2A
SCHEMBL7279370 0.79 ALDH1A1 (0.60) CYP2D6KDM4EPOLBMAPTMEN1
SCHEMBL7282228 0.77 CYP2D6 (0.52) CYP2D6KDM4EPOLBMAPTMEN1
SCHEMBL7278993 0.77 USP2 (0.55) CYP2D6KDM4EPOLBMAPTMEN1

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