SCHEMBL25879144

SCHEMBL25879144

O=C(NC1CCN(C(=O)c2cccc(Nc3ccccc3)n2)CC1)c1cccc(Nc2ccccc2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
EPHX1 P07099 2/20 0.46
HSD11B1 P28845 2/20 0.46
PRKAA2 P54646 5/20 0.45
POLB P06746 1/20 0.45
USP30 Q70CQ3 3/20 0.44
MAPT P10636 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PRKAB2 O43741 2/20 0.43
PRKAG1 P54619 2/20 0.43
PRKAA1 Q13131 2/20 0.43
PRKAG3 Q9UGI9 2/20 0.43
PRKAG2 Q9UGJ0 2/20 0.43
PRKAB1 Q9Y478 2/20 0.43
GNE Q9Y223 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL25315795 0.92 EPHX2 (0.47) EPHX2EPHX1HSD11B1POLBMAPT
SCHEMBL25311831 0.91 EPHX2 (0.44) EPHX2EPHX1PRKAA2MAPTPRKAB2
SCHEMBL25878961 0.85 LANCL2 (0.62) HSD11B1USP30MAPTRXFP1MEN1
SCHEMBL25312498 0.85 MAPT (0.53) HSD11B1POLBMAPTMEN1KMT2A
SCHEMBL25310693 0.84 GNE (0.45) EPHX2HSD11B1MAPTMEN1KMT2A
SCHEMBL30471249 0.84 NAMPT (0.52) EPHX2USP30MEN1KMT2A
SCHEMBL25883636 0.84 NAMPT (0.52) EPHX2USP30MEN1KMT2A
SCHEMBL25878265 0.82 MAPT (0.42) HSD11B1POLBUSP30MAPTRXFP1
SCHEMBL25879044 0.82 EPHX2 (0.47) EPHX2EPHX1PRKAA2POLBMEN1
SCHEMBL25311390 0.81 GNE (0.49) HSD11B1POLBMAPTMEN1KMT2A

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
EP-4215526-A1 CARBONYL HETEROCYCLIC COMPOUND AND APPLICATION THEREOF Shanghai Pharmaceuticals Holding Co., Ltd. (CN) 2023-07-26 EP disclosed