SCHEMBL8575327

SCHEMBL8575327

COc1ccc2c(c1)OCN(CCOc1ccccc1C=O)C2=O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ACHE P22303 1/20 0.44
MAOB P27338 1/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.40
CYP19A1 P11511 1/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40

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
SCHEMBL8578663 0.92 KMT2A (0.47) MEN1KMT2AACHEMAOBALDH1A1
SCHEMBL8573465 0.87 KMT2A (0.49) MEN1KMT2AALDH1A1LMNAHPGD
SCHEMBL8803534 0.85 MAOB (0.48) ACHEMAOB
SCHEMBL8575194 0.84 KMT2A (0.55) MEN1KMT2AMAOBALDH1A1HPGD
SCHEMBL8798715 0.84 NPC1 (0.46) ACHEMAOBTDP1RAB9AROCK2
SCHEMBL8575290 0.80 KMT2A (0.50) MEN1KMT2AALDH1A1HPGDHTT
SCHEMBL8577745 0.79 KMT2A (0.48) MEN1KMT2AMAOBALDH1A1HPGD
SCHEMBL8578675 0.79 KMT2A (0.49) MEN1KMT2AMAOBALDH1A1HPGD
SCHEMBL8576909 0.77 ROCK2 (0.44) MEN1KMT2AMAOBALDH1A1LMNA
SCHEMBL9171923 0.77 ROCK2 (0.44) MEN1KMT2AMAOBALDH1A1HPGD

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
US-5710152-A ANTIDIABETIC, ANTILIPEMIC, AND HYPOGLYCEMIC AGENTS; DIETETICS SS PHARMACEUTICAL CO., LTD. (JP) 1998-01-20 US disclosed