SCHEMBL29267754

SCHEMBL29267754

Cc1cc2c(cc1NC(=O)OC(C)(C)C)N(C)C(=O)C2C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA9 Q16790 1/20 0.38
CNR2 P34972 1/20 0.35
LMNA P02545 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
BRD4 O60885 4/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C19 P33261 1/20 0.34
SCN9A Q15858 1/20 0.33
BRD2 P25440 2/20 0.33
BRD3 Q15059 2/20 0.33
CREBBP Q92793 1/20 0.33
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL7682127 0.72 CA12 (0.43) CA12CA1CA9CNR2LMNA
SCHEMBL655194 0.71 POLB (0.48) CA12CA1CA9LMNANPSR1
SCHEMBL25319641 0.69 CA12 (0.39) CA12CA1CA9LMNANPSR1
SCHEMBL30536010 0.69 CA12 (0.39) CA12CA1CA9LMNANPSR1
SCHEMBL653538 0.67 CISD2 (0.41) CA12CA1CA9BRD9
SCHEMBL652964 0.67 CISD2 (0.41) CA12CA1CA9LMNANPSR1
SCHEMBL12072957 0.67 LCK (0.41) CA12CA1CA9BRD9CYP1A2
SCHEMBL28797272 0.67 CYP17A1 (0.43) CA12CA1CA9LMNANPSR1
SCHEMBL4568018 0.67 NLRP3 (0.55) LMNANPSR1CYP1A2POLBCYP3A4
SCHEMBL8297312 0.67 SMN1; SMN2 (0.63) LMNAPOLB

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-115605476-B Substituted tricyclic compounds 鲁宾有限公司 2024-05-24 CN disclosed