SCHEMBL8627255

SCHEMBL8627255

COC(=O)C(CC#N)c1ccc(OC)c2nc(COc3ccccc3OC)[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
ROCK2 O75116 1/20 0.36
HTT P42858 1/20 0.36
KDM4E B2RXH2 4/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 1/20 0.35
PDE4A P27815 3/20 0.34
PDE4B Q07343 3/20 0.34
PDE4C Q08493 3/20 0.34
PDE4D Q08499 3/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 1/20 0.34
MAOB P27338 1/20 0.33
ADORA2A P29274 1/20 0.33

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
SCHEMBL8628572 0.92 SMN1; SMN2 (0.39) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL8629585 0.89 GAA (0.38) SMN1; SMN2RAB9ANPC1MEN1KMT2A
SCHEMBL2525079 0.87 LMNA (0.36) SMN1; SMN2RAB9ANPC1HTTLMNA
SCHEMBL8572616 0.86 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DMAOB
SCHEMBL8568594 0.85 PDE4A (0.47) MEN1KMT2APDE4APDE4BPDE4C
SCHEMBL8633509 0.82 PDE4A (0.39) SMN1; SMN2MEN1KMT2ATHRBHTT
SCHEMBL8574221 0.82 TNKS (0.42) MEN1KMT2AHTTMAPTMAOB
SCHEMBL8574502 0.81 PDE4A (0.38) PDE4APDE4BPDE4CPDE4D
SCHEMBL8626502 0.80 PDE4A (0.37) MEN1KMT2AROCK2KDM4EPDE4A
SCHEMBL8626576 0.80 PDE4A (0.39) HTTCYP1A2PDE4APDE4BPDE4C

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