SCHEMBL8920052

SCHEMBL8920052

CC(=O)Nc1ccc(C#CC2C(O)C3CCN2CC3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
ALDH1A1 P00352 3/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP2C19 P33261 2/20 0.53
HPGD P15428 1/20 0.53
RAB9A P51151 1/20 0.53
SLC18A3 Q16572 1/20 0.46
MAPT P10636 3/20 0.43
GAA P10253 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
GFER P55789 1/20 0.43
NAMPT P43490 1/20 0.42
NPC1 O15118 1/20 0.41
PREP P48147 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 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
SCHEMBL8921096 0.78 ALDH1A1 (0.35) ALDH1A1SLC18A3L3MBTL1
SCHEMBL8707234 0.75 HRH3 (0.37) KDM4E
SCHEMBL8574139 0.68 CHRNA7 (0.50) CYP2C19CYP1A2CYP3A4
SCHEMBL10191870 0.67 KMT2A (0.81) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7306300 0.66 MAPT (0.71) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL2231385 0.66 RAB9A (0.85) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8575554 0.66 SLC18A3 (0.33) SLC18A3
SCHEMBL8599640 0.65 KMT2A (0.75) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL5856552 0.64 KMT2A (0.62) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL861674 0.64 SMN1; SMN2 (0.84) KMT2AMEN1ALDH1A1SMN1; SMN2KDM4E

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-5691349-A ANTICHOLESTEROL AGENTS; ATHEROSCLEROSIS ZENECA LIMITED (GB) 1997-11-25 US disclosed