SCHEMBL8570990

SCHEMBL8570990

COc1ccc(C(=O)Cl)c2[nH]c(COc3ccccc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
GAA P10253 3/20 0.43
PDE4A P27815 4/20 0.43
PDE4B Q07343 4/20 0.43
PDE4C Q08493 4/20 0.43
PDE4D Q08499 4/20 0.43
PABPC1 P11940 1/20 0.43
RAB9A P51151 8/20 0.41
NPC1 O15118 6/20 0.40
TP53 P04637 2/20 0.40
TSHR P16473 1/20 0.40
PDE5A O76074 1/20 0.40
HDAC11 Q96DB2 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
ROCK2 O75116 1/20 0.39
POLB P06746 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DAO P14920 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL8572687 0.92 PDE4A (0.44) SMN1; SMN2GAAPDE4APDE4BPDE4C
SCHEMBL1553076 0.91 KDM4A (0.46) SMN1; SMN2GAAPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL8570996 0.90 KDM4A (0.45) SMN1; SMN2GAAPDE4APDE4BPDE4C
SCHEMBL8568575 0.90 SMN1; SMN2 (0.49) SMN1; SMN2GAAPDE4APDE4BPDE4C
SCHEMBL1554630 0.89 GAA (0.46) SMN1; SMN2GAAPDE4APDE4BPDE4C
SCHEMBL8571856 0.86 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL8575066 0.84 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL1552948 0.84 KDM5A (0.51) SMN1; SMN2GAAPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL8572692 0.83 KDM5A (0.50) SMN1; SMN2GAAPDE4APDE4BPDE4C
SCHEMBL8571347 0.83 PDE4D (0.59) PDE4APDE4BPDE4CPDE4DRAB9A

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
WO-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed