SCHEMBL25694331

SCHEMBL25694331

CC(C)(C)OC(=O)N[C@H]1CCC(NCc2ccccc2)[C@@H]2C[C@H]12

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
KDM1A O60341 3/20 0.47
MAOB P27338 2/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA7 P43166 1/20 0.47
CA14 Q9ULX7 1/20 0.47
FUCA1 P04066 1/20 0.44
ATM Q13315 1/20 0.44
CTSK P43235 1/20 0.42
CPB1 P15086 1/20 0.41
MAOA P21397 3/20 0.41
AKT1 P31749 2/20 0.40
HSD17B10 Q99714 1/20 0.40
KCNA3 P22001 1/20 0.40
EPHX2 P34913 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 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
SCHEMBL4083289 0.85 KMT2A (0.53) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL23153407 0.85 KMT2A (0.53) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL765249 0.85 KMT2A (0.53) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL29761166 0.85 KMT2A (0.56) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL3208730 0.81 KMT2A (0.52) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL5694937 0.80 KMT2A (0.58) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL4266535 0.80 KMT2A (0.58) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL22546524 0.80 KMT2A (0.61) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL4266530 0.80 KMT2A (0.58) KMT2AL3MBTL1KDM1AMAOBCA12
SCHEMBL19569627 0.78 KMT2A (0.62) KMT2AL3MBTL1KDM1AMAOBCA12

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-2023091438-A1 CHROMANE AMIDINE MONOBACTAM ANTIBIOTICS MERCK SHARP & DOHME LLC (US) 2023-05-25 WO disclosed