SCHEMBL6714523

SCHEMBL6714523

O=C(O)c1c[nH]c2cc(N3CCNCC3)c(C3CC3)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.45
HSD17B10 Q99714 7/20 0.45
KDM4E B2RXH2 6/20 0.45
ALDH1A1 P00352 5/20 0.45
LMNA P02545 4/20 0.45
CYP1A2 P05177 3/20 0.45
CYP2C9 P11712 3/20 0.45
TOP2A P11388 1/20 0.45
TOP2B Q02880 1/20 0.45
HTT P42858 2/20 0.41
BRD4 O60885 1/20 0.41
TSHR P16473 1/20 0.41
CYP2J2 P51589 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.40
GAA P10253 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALOX12 P18054 1/20 0.39

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
SCHEMBL3341252 0.82 KDM4E (0.58) HPGDHSD17B10KDM4EALDH1A1LMNA
Cyclopropane SCHEMBL3447310 0.81 ALDH1A1 (0.56) HPGDHSD17B10KDM4EALDH1A1LMNA
SCHEMBL13576341 0.77 KDM4E (0.42) HPGDHSD17B10KDM4EALDH1A1LMNA
SCHEMBL5303665 0.77 KDM4E (0.48) HPGDHSD17B10KDM4EALDH1A1CYP1A2
SCHEMBL7511784 0.77 KDM4E (0.48) HPGDHSD17B10KDM4EALDH1A1LMNA
SCHEMBL9443458 0.75 HPGD (0.52) HPGDHSD17B10KDM4EALDH1A1LMNA
SCHEMBL4962381 0.74 KDM4E (0.48) HPGDHSD17B10KDM4EALDH1A1LMNA
SCHEMBL1421967 0.74 KDM4E (0.55) HPGDHSD17B10KDM4EALDH1A1CYP1A2
SCHEMBL7557789 0.73 ALDH1A1 (0.50) HPGDHSD17B10KDM4EALDH1A1LMNA
SCHEMBL631845 0.72 KDM4E (0.52) HPGDHSD17B10KDM4EALDH1A1CYP1A2

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
EP-1453846-A1 MACROLIDES GLAXO GROUP LIMITED (GB) 2004-09-08 EP disclosed
WO-2003042228-A1 MACROLIDES GLAXO GROUP LIMITED (GB) 2003-05-22 WO disclosed