SCHEMBL6585985

SCHEMBL6585985

COc1cc(OC)c2c(C)c(Cc3ccccc3F)c(=O)n(Cc3ccccc3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 3/20 0.39
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLA2G2A P14555 2/20 0.38
P2RX7 Q99572 1/20 0.38
TSHR P16473 1/20 0.38
KMT2A Q03164 1/20 0.38
BRD4 O60885 2/20 0.38
TP53 P04637 1/20 0.38
LMNA P02545 2/20 0.37
THRB P10828 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
PLA2G1B P04054 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
SCHEMBL6585857 0.90 PDE5A (0.43) PDE5AMAPK1PLA2G2AP2RX7TSHR
SCHEMBL6599511 0.88 THRB (0.45) PDE5APLA2G2ATSHRKMT2ATP53
SCHEMBL6584251 0.84 PDE5A (0.42) PDE5AMAPK1PLA2G2ATSHRKMT2A
SCHEMBL6585811 0.83 POLB (0.37) PLA2G2AKMT2ATP53THRBPLA2G1B
SCHEMBL12501799 0.80 MAPK8 (0.46) PDE5AMAPK1SMN1; SMN2PLA2G2ATSHR
SCHEMBL6586738 0.80 ALDH1A1 (0.43) PDE5ASMN1; SMN2PLA2G2AKMT2ATHRB
SCHEMBL6846359 0.78 POLB (0.34) SMN1; SMN2TSHRKMT2ATP53THRB
SCHEMBL6585612 0.76 TRPC5 (0.44) PDE5AKMT2ATP53LMNA
SCHEMBL6584662 0.74 KMT2A (0.54) PDE5AMAPK1SMN1; SMN2PLA2G2ATSHR
SCHEMBL6583824 0.74 ABCG2 (0.46) PDE5ATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1001774-B1 USE OF PHOSPHOLAMBAN INHIBITORS FOR INCREASING CORONARY FLOW ORION CORP (FI) 2004-09-15 EP disclosed
US-6774103-B1 Compounds for deactivating phospholamban function on Ca-ATPase (phospholamban inhibitors) ORION CORPORATION (FI) 2004-08-10 US disclosed
US-6538022-B1 Three-dimensional structure of the cytosolic domain of phospholamban (PLB) and its active site from NMR data of sufficiently high resolution for the three-dimensional structure determination. rational drug design enabling the ORION CORPORATION (FI) 2003-03-25 US disclosed
EP-1039884-B1 A METHOD FOR THE PREVENTION AND TREATMENT OF STUNNED MYOCARDIUM ORION CORP (FI) 2002-09-18 EP disclosed
US-6265421-B1 DILATATION OF ARTERIES ORION CORPORATION (FI) 2001-07-24 US disclosed
US-5968959-A ADMINISTERING PHOSPHOLAMBAN INHIBITOR ORION CORPORATION (FI) 1999-10-19 US disclosed