SCHEMBL24070512

SCHEMBL24070512

Cc1cc(=O)n(C)c(C(C)C)c1C(C)C

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NQO2 P16083 8/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP19A1 P11511 8/20 0.36
NOX4 Q9NPH5 1/20 0.33
PLA2G7 Q13093 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
MAPT P10636 1/20 0.32
KAT2B Q92831 1/20 0.31
POLB P06746 1/20 0.31
TSHR P16473 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL21937407 0.82 NOX4 (0.42) NQO2KDM4ECYP19A1NOX4PLA2G7
SCHEMBL23341812 0.82 NQO2 (0.40) NQO2KDM4ECYP19A1NOX4PLA2G7
SCHEMBL25696492 0.76 NQO2 (0.36) NQO2KDM4ECYP19A1PLA2G7ALDH1A1
SCHEMBL22016779 0.69 KDM4E (0.40) KDM4ENOX4ALDH1A1LMNAADORA3
SCHEMBL24759396 0.68 LMNA (0.40) KDM4ENOX4ALDH1A1LMNAADORA3
SCHEMBL21074872 0.67 MEN1 (0.41) KDM4EALDH1A1LMNAMAPTPOLB
SCHEMBL21146243 0.66
SCHEMBL25606083 0.64 LMNA (0.33) LMNAADORA3
SCHEMBL24730692 0.64
SCHEMBL25879990 0.64 LMNA (0.31) LMNAADORA3

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
WO-2021239058-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 劲方医药科技(上海)有限公司 2021-12-02 WO disclosed