SCHEMBL29324903

SCHEMBL29324903

O[C@H]1CC[C@@H](Oc2ccncc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.41
CHEK2 O96017 1/20 0.39
MAP4K4 O95819 1/20 0.39
CYP2C9 P11712 2/20 0.38
CYP2J2 P51589 2/20 0.38
IKBKB O14920 1/20 0.37
HRH1 P35367 1/20 0.37
PARP10 Q53GL7 1/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2B Q13224 2/20 0.37
CPB2 Q96IY4 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TNKS O95271 2/20 0.35
PARP1 P09874 2/20 0.35
PARP2 Q9UGN5 2/20 0.35
CYP19A1 P11511 2/20 0.35
MAPT P10636 1/20 0.35
TNKS2 Q9H2K2 1/20 0.34
FDPS P14324 1/20 0.34

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
SCHEMBL14634351 1.00 EPHX2 (0.41) EPHX2CHEK2MAP4K4CYP2C9CYP2J2
SCHEMBL2551059 1.00 EPHX2 (0.41) EPHX2CHEK2MAP4K4CYP2C9CYP2J2
SCHEMBL20400026 0.89 HRH1 (0.43) EPHX2MAP4K4CYP2C9CYP2J2IKBKB
SCHEMBL31540092 0.89 HRH1 (0.43) EPHX2MAP4K4CYP2C9CYP2J2IKBKB
SCHEMBL26098186 0.82 GRIN1 (0.43) EPHX2CYP2C9CYP2J2IKBKBGRIN1
SCHEMBL77615 0.81 PARP10 (0.48) EPHX2IKBKBHRH1PARP10CYP19A1
SCHEMBL28179921 0.81 CYP19A1 (0.44) EPHX2IKBKBHRH1PARP10CYP19A1
SCHEMBL15574985 0.80 MAP4K4 (0.39) EPHX2MAP4K4CYP2C9CYP2J2IKBKB
SCHEMBL14654942 0.80 CYP19A1 (0.49) EPHX2IKBKBHRH1GRIN1GRIN2B
SCHEMBL15574983 0.80 MAP4K4 (0.39) EPHX2MAP4K4CYP2C9CYP2J2IKBKB

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-4400499-A1 GLUTARIMIDE COMPOUND AND USE THEREOF Medshine Discovery Inc. (CN) 2024-07-17 EP disclosed