SCHEMBL18155425

SCHEMBL18155425

C=Cc1c(Cl)ccc2[nH]c3c(c12)CCC3=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
LMNA P02545 4/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 3/20 0.41
HPGD P15428 2/20 0.41
GAA P10253 1/20 0.40
PARP1 P09874 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HTT P42858 1/20 0.35
PTK2B Q14289 1/20 0.35
MAPT P10636 2/20 0.34
MAPK1 P28482 1/20 0.34
MAPK10 P53779 1/20 0.34
RIPK1 Q13546 1/20 0.34
ALOX15 P16050 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31

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
SCHEMBL14688216 0.80 KDM4E (0.46) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL18155434 0.77 KDM4E (0.44) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL2359337 0.72 KDM4E (0.56) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL22529407 0.72 KDM4E (0.52) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL5271427 0.70 KDM4E (0.54) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL6625704 0.68 PARP1 (0.47) PARP1MAPK10RIPK1
SCHEMBL5273779 0.67 KDM4E (0.50) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL12440434 0.64 KDM4E (0.57) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL2359673 0.64 KDM4E (0.57) KDM4ELMNAALDH1A1HSD17B10HPGD
SCHEMBL6625863 0.63 PARP1 (0.70) PARP1MAPTMAPK10RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2531029-B1 SELECTIVE ANDROGEN RECEPTOR MODULATORS RADIUS HEALTH INC (US) 2016-10-19 EP disclosed