SCHEMBL6846359

SCHEMBL6846359

Cc1c(Cc2ccccc2F)c(=O)n(Cc2ccccc2)c2cc(OCc3nnn[nH]3)cc(OCc3nnn[nH]3)c12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 3/20 0.33
USP2 O75604 2/20 0.33
MEN1 O00255 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
MAPK14 Q16539 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
DYRK1A Q13627 3/20 0.33
PLK1 P53350 2/20 0.33
PLK3 Q9H4B4 2/20 0.33
PLK2 Q9NYY3 2/20 0.33
TP53 P04637 2/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL6586392 0.92 POLB (0.40) POLBPKMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6585853 0.91 POLB (0.37) POLBPKMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL7981826 0.88 MAPK14 (0.35) POLBPKMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6585624 0.81 POLB (0.41) POLBPKMSMN1; SMN2ALDH1A1KDM4E
SCHEMBL6585811 0.81 POLB (0.37) POLBPKMALDH1A1KDM4EKMT2A
SCHEMBL6585984 0.80 KMT2A (0.42) KDM4EMEN1HPGDKMT2AMAPK14
SCHEMBL6585985 0.78 PDE5A (0.39) SMN1; SMN2KMT2ATP53THRBGRIN1
SCHEMBL6586738 0.73 ALDH1A1 (0.43) POLBSMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL6583611 0.72 KDM4E (0.60) POLBSMN1; SMN2ALDH1A1KDM4EUSP2
SCHEMBL6587633 0.71 MAPT (0.39) POLBALDH1A1KDM4EMEN1KMT2A

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-6265421-B1 DILATATION OF ARTERIES ORION CORPORATION (FI) 2001-07-24 US claimed
US-6774103-B1 Compounds for deactivating phospholamban function on Ca-ATPase (phospholamban inhibitors) ORION CORPORATION (FI) 2004-08-10 US disclosed