SCHEMBL28811197

SCHEMBL28811197

CC(C)(C)OC(=O)N1CC(Nc2cc(Br)ccn2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 6/20 0.46
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
NOS1 P29475 4/20 0.43
NOS2 P35228 4/20 0.43
NOS3 P29474 2/20 0.43
FPR3 P25089 1/20 0.42
FPR2 P25090 1/20 0.42
SYK P43405 1/20 0.42
EHMT2 Q96KQ7 1/20 0.42
ACHE P22303 1/20 0.41
KRAS P01116 2/20 0.41
GPR119 Q8TDV5 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL17560179 0.85 NOS1 (0.44) USP30NOS1NOS2NOS3SYK
SCHEMBL26126144 0.84 IRAK4 (0.48) HCRTR1HCRTR2NOS1NOS2NOS3
SCHEMBL28811698 0.84 NOS1 (0.44) USP30NOS1NOS2NOS3SYK
SCHEMBL17560281 0.84 NOS1 (0.43) USP30NOS1NOS2NOS3SYK
SCHEMBL30585858 0.83 NOS2 (0.54) USP30NOS2ACHEGPR119POLB
SCHEMBL18497654 0.83 NOS2 (0.54) USP30NOS2ACHEGPR119POLB
SCHEMBL25984948 0.82 GPR119 (0.45) USP30FPR3FPR2EHMT2GPR119
SCHEMBL17591884 0.81 USP30 (0.56) USP30FPR3FPR2KRAS
SCHEMBL30568428 0.81 HCRTR2 (0.47) USP30HCRTR1HCRTR2NOS1NOS2
SCHEMBL25609008 0.79 PTPN2 (0.59) USP30GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115028619-A SMYD inhibitors EPIZYME股份有限公司 2022-09-09 CN disclosed
WO-2022173849-A1 (HETERO)ARYLAMINO-CYCLOHEXYL-SULFONYL DERIVATIVES AS CCR6 INHIBITORS QILU REGOR THERAPEUTICS INC. (CN) 2022-08-18 WO disclosed
CN-107072205-B SMYD inhibitors EPIZYME股份有限公司 2022-07-15 CN disclosed