SCHEMBL30476145

SCHEMBL30476145

CC(C)(C)OC(=O)N1CCCCC1c1ccc(N)nc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.43
FEN1 P39748 1/20 0.43
UCHL1 P09936 2/20 0.42
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CPT1A P50416 3/20 0.40
CPT2 P23786 2/20 0.40
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
PDE8B O95263 1/20 0.40
RIPK1 Q13546 1/20 0.40
NPC1 O15118 1/20 0.39
KDM4E B2RXH2 1/20 0.39
DDB1 Q16531 1/20 0.39
CRBN Q96SW2 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
SCHEMBL30620837 0.96 ALOX5AP (0.46) ALOX5APFEN1UCHL1ALDH1A1MEN1
SCHEMBL1991706 0.86 RIPK1 (0.47) ALDH1A1L3MBTL1LMNAPDE8BRIPK1
SCHEMBL30541398 0.86 TSHR (0.43) UCHL1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL28076642 0.85 DDB1 (0.43) ALOX5APFEN1UCHL1NPC1DDB1
SCHEMBL30541427 0.84 ALDH1A1 (0.44) ALOX5APFEN1UCHL1ALDH1A1MEN1
SCHEMBL30280823 0.83 GPR119 (0.48) UCHL1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL30385469 0.83 PARP1 (0.42) ALOX5APFEN1UCHL1DDB1CRBN
SCHEMBL25620377 0.83 GPR119 (0.48) UCHL1ALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL27909454 0.83 PARP1 (0.42) ALOX5APFEN1UCHL1DDB1CRBN
SCHEMBL27950459 0.83 GPR119 (0.48) UCHL1ALDH1A1MEN1KMT2AL3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116583283-A CDK inhibitors and their use as pharmaceuticals 普莱鲁德疗法有限公司 2023-08-11 CN disclosed
CN-113956238-B Protein kinase inhibitor and preparation method and medical application thereof 甘李药业股份有限公司 2023-07-14 CN disclosed