SCHEMBL8627261

SCHEMBL8627261

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
ROCK2 O75116 1/20 0.38
LMNA P02545 2/20 0.36
RXRA P19793 1/20 0.36
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.35
POLB P06746 1/20 0.35
PDE5A O76074 1/20 0.35
HTT P42858 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
KDM4E B2RXH2 3/20 0.34
MAOB P27338 1/20 0.34
ADORA2A P29274 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL8627255 0.80 SMN1; SMN2 (0.41) SMN1; SMN2RAB9ANPC1ROCK2LMNA
SCHEMBL1552751 0.77 SMN1; SMN2 (0.50) SMN1; SMN2RAB9ANPC1ROCK2LMNA
Hydrochloric Acid SCHEMBL8568583 0.76 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1ROCK2RXRA
SCHEMBL8569965 0.75 RAB9A (0.48) SMN1; SMN2RAB9ANPC1ROCK2LMNA
SCHEMBL8629601 0.74 PDE4A (0.44) ADORA2A
SCHEMBL8627267 0.74 RAB9A (0.41) SMN1; SMN2RAB9ANPC1ROCK2LMNA
SCHEMBL8568575 0.74 SMN1; SMN2 (0.49) SMN1; SMN2RAB9ANPC1ROCK2LMNA
SCHEMBL8628572 0.74 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1ROCK2KMT2A
SCHEMBL1554630 0.69 GAA (0.46) SMN1; SMN2RAB9ANPC1ROCK2LMNA
SCHEMBL8629585 0.69 GAA (0.38) SMN1; SMN2RAB9ANPC1ROCK2LMNA

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