SCHEMBL9988458

SCHEMBL9988458

COc1cc[c]c(-c2ccccc2Cl)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 6/20 0.42
PDE10A Q9Y233 6/20 0.42
PDE6D O43924 1/20 0.41
PDE6A P16499 1/20 0.41
PDE6G P18545 1/20 0.41
PDE6B P35913 1/20 0.41
PDE6C P51160 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE6H Q13956 1/20 0.41
PDE3A Q14432 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.38
NFE2L2 Q16236 2/20 0.38
ALDH1A1 P00352 3/20 0.36
NPC1 O15118 2/20 0.36
TP53 P04637 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL9987892 0.78 HSD11B1 (0.42) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL9987959 0.75 LMNA (0.43) L3MBTL1ALDH1A1NPC1TP53RAB9A
SCHEMBL9987986 0.74 L3MBTL1 (0.37) L3MBTL1ALDH1A1NPC1TP53RAB9A
SCHEMBL491297 0.71
SCHEMBL9988636 0.71 ALDH1A1 (0.37) L3MBTL1ALDH1A1NPC1TP53RAB9A
SCHEMBL1969571 0.67 DPP4 (0.41) ALDH1A1NPC1TP53RAB9ASMN1; SMN2
SCHEMBL9453855 0.66 CYP2A6 (0.38) L3MBTL1ALDH1A1NPC1TP53RAB9A
SCHEMBL9453856 0.66 ERN1 (0.43) L3MBTL1ALDH1A1NPC1TP53RAB9A
SCHEMBL5670544 0.66 MEN1 (0.40) PDE2APDE10AL3MBTL1NFE2L2ALDH1A1
SCHEMBL9988624 0.66 IDO1 (0.41) ALDH1A1HSD11B1KDM4EHPGD

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-2397462-A2 Compounds, compositions and methods of treatment for heart failure Cytokinetics, Inc. (US) 2011-12-21 EP claimed