SCHEMBL30864262

SCHEMBL30864262

CC(C)(C)OC(=O)N1CCCC1c1cc2cnccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.53
NAMPT P43490 3/20 0.48
HRH4 Q9H3N8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
GPR119 Q8TDV5 1/20 0.39
BUB1 O43683 1/20 0.39
TSHR P16473 2/20 0.39
MEN1 O00255 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 1/20 0.39

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
SCHEMBL20284612 0.83 CYP2C9 (0.63) CYP2C9NAMPTHRH4ALDH1A1GPR119
SCHEMBL31746669 0.82 UCHL1 (0.40) CYP2C9L3MBTL1ALDH1A1NPSR1LMNA
SCHEMBL30204317 0.82 TSHR (0.40) L3MBTL1ALDH1A1NPSR1LMNAMAPT
SCHEMBL29587517 0.82 POLB (0.51) HRH4L3MBTL1ALDH1A1NPSR1LMNA
SCHEMBL10140979 0.82 NPSR1 (0.40) L3MBTL1ALDH1A1NPSR1LMNAMAPT
SCHEMBL889108 0.82 KMT2A (0.42) HRH4L3MBTL1ALDH1A1NPSR1LMNA
SCHEMBL13122937 0.82 KMT2A (0.42) HRH4L3MBTL1ALDH1A1NPSR1LMNA
SCHEMBL13187564 0.82 NPSR1 (0.40) L3MBTL1ALDH1A1NPSR1LMNAMAPT
SCHEMBL1465557 0.79 NR1H2 (0.42) HRH4L3MBTL1ALDH1A1NPSR1LMNA
SCHEMBL30864266 0.79 POLB (0.48) HRH4L3MBTL1ALDH1A1NPSR1LMNA

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
CN-117858877-A C-linked inhibitors of ENL/AF9 YEATS 桥梁药品有限公司 2024-04-09 CN disclosed