SCHEMBL29136079

SCHEMBL29136079

CC(C)(C)OC(=O)N1CCC[C@@H](Nc2cccc3cccnc23)C1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 4/20 0.50
PARP1 P09874 2/20 0.50
POLB P06746 2/20 0.49
KDM4E B2RXH2 1/20 0.49
PIM1 P11309 2/20 0.49
PIM2 Q9P1W9 2/20 0.49
TRPV1 Q8NER1 1/20 0.47
HDAC4 P56524 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
JAK2 O60674 1/20 0.44
JAK3 P52333 1/20 0.44
BRD4 O60885 1/20 0.43
PIK3CD O00329 1/20 0.43

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
SCHEMBL30679668 1.00 USP30 (0.50) USP30PARP1POLBKDM4EPIM1
SCHEMBL29862391 0.94 USP30 (0.51) USP30PARP1POLBKDM4EPIM1
SCHEMBL28833991 0.94 USP30 (0.51) USP30PARP1POLBKDM4EPIM1
SCHEMBL28833992 0.94 USP30 (0.51) USP30PARP1POLBKDM4EPIM1
SCHEMBL31358156 0.86 USP30 (0.49) USP30PARP1POLBPIM1PIM2
SCHEMBL30366200 0.84 GAA (0.56) POLBKDM4E
SCHEMBL30089037 0.84 GAA (0.56) POLBKDM4E
SCHEMBL30899633 0.84 GAA (0.56) POLBKDM4E
SCHEMBL31358054 0.82 USP30 (0.46) USP30PARP1POLBPIM1PIM2
SCHEMBL4477690 0.82 ROCK2 (0.56)

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
CN-117321042-A Oxodihydro indole compounds for the treatment of inflammatory diseases or cancers 豪夫迈·罗氏有限公司 2023-12-29 CN disclosed