SCHEMBL29210751

SCHEMBL29210751

CC(C)(C)OC(=O)N1CCC(c2nc3ccc(Br)cc3s2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UBE2M P61081 9/20 0.53
DCUN1D1 Q96GG9 9/20 0.53
LMNA P02545 4/20 0.53
TP53 P04637 2/20 0.53
MAPT P10636 3/20 0.49
RXFP1 Q9HBX9 1/20 0.49
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
KDM4E B2RXH2 1/20 0.45
THRB P10828 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
USP30 Q70CQ3 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
SCHEMBL25922621 0.92 UBE2M (0.53) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL7836538 0.87 MAPT (0.52) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL26962587 0.86 UBE2M (0.49) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL29858216 0.86 UBE2M (0.49) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL2591241 0.85 ACACB (0.53) NPC1RAB9AL3MBTL1USP30
SCHEMBL17141939 0.84 UBE2M (0.62) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL26962484 0.82 MEN1 (0.50) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL8371368 0.82 NPC1 (0.52) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL29858147 0.82 MEN1 (0.50) UBE2MDCUN1D1LMNATP53MAPT
SCHEMBL23290764 0.81 MAPT (0.43) UBE2MDCUN1D1LMNATP53MAPT

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-117986262-A Condensed bicyclic compounds, preparation method and application thereof in medicine 江苏恒瑞医药股份有限公司 2024-05-07 CN disclosed