SCHEMBL30775709

SCHEMBL30775709

C[C@H]1CN(C(=O)OC(C)(C)C)CCN1c1cccc(Br)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
SMARCA2 P51531 1/20 0.50
SMARCA4 P51532 1/20 0.50
PBRM1 Q86U86 1/20 0.50
ADAMTS5 Q9UNA0 1/20 0.49
MAPT P10636 3/20 0.47
GFER P55789 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
GLA P06280 1/20 0.46
POLB P06746 1/20 0.46
GRK2 P25098 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HPGD P15428 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL23784833 1.00 LMNA (0.50) LMNATP53THRBSMARCA2SMARCA4
SCHEMBL23784831 1.00 LMNA (0.50) LMNATP53THRBSMARCA2SMARCA4
SCHEMBL23784884 1.00 LMNA (0.50) LMNATP53THRBSMARCA2SMARCA4
SCHEMBL23784974 0.87 MAPT (0.51) LMNATP53THRBSMARCA2SMARCA4
SCHEMBL23784965 0.87 LMNA (0.62) LMNATP53THRBSMARCA2SMARCA4
SCHEMBL21326453 0.87 MAPT (0.51) LMNATP53THRBSMARCA2SMARCA4
SCHEMBL23784874 0.87 LMNA (0.62) LMNATP53THRBSMARCA2SMARCA4
SCHEMBL23784832 0.87 LMNA (0.62) LMNATP53THRBSMARCA2SMARCA4
SCHEMBL23784876 0.87 MAPT (0.51) LMNATP53THRBSMARCA2SMARCA4
SCHEMBL30208086 0.87 LMNA (0.62) LMNATP53THRBSMARCA2SMARCA4

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-117355522-A PKC-theta modulators 爱智药人工智能有限公司 2024-01-05 CN disclosed