SCHEMBL8568575

SCHEMBL8568575

COc1ccccc1OCc1nc2c(OC)ccc(C(=O)Cl)c2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
PDE4A P27815 4/20 0.44
PDE4B Q07343 4/20 0.44
PDE4C Q08493 4/20 0.44
PDE4D Q08499 4/20 0.44
ROCK2 O75116 1/20 0.41
RXRA P19793 1/20 0.40
KDM4E B2RXH2 2/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
MAPK1 P28482 1/20 0.39
ATM Q13315 1/20 0.39
POLB P06746 1/20 0.39
PARP1 P09874 1/20 0.38
LMNA P02545 2/20 0.38
PDE5A O76074 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL8570990 0.90 SMN1; SMN2 (0.43) SMN1; SMN2RAB9ANPC1PDE4APDE4B
SCHEMBL1552751 0.89 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1PDE4APDE4B
SCHEMBL1552982 0.88 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1PDE4APDE4B
Hydrochloric Acid SCHEMBL8568583 0.88 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1PDE4APDE4B
SCHEMBL8571856 0.87 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8572687 0.86 PDE4A (0.44) SMN1; SMN2RAB9ANPC1PDE4APDE4B
SCHEMBL2524466 0.84 PDE4A (0.46) SMN1; SMN2RAB9ANPC1PDE4APDE4B
SCHEMBL8575066 0.82 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DPOLB
SCHEMBL8571347 0.81 PDE4D (0.59) RAB9ANPC1PDE4APDE4BPDE4C
SCHEMBL8574171 0.81 PDE4A (0.45) SMN1; SMN2RAB9ANPC1PDE4APDE4B

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