SCHEMBL31455587

SCHEMBL31455587

Cc1cc(C(=O)OC(C)(C)C)c(C)cc1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
GABRA1 P14867 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
CHRNA1 P02708 1/20 0.36
CHRNG P07510 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36
SLC6A2 P23975 1/20 0.36
CHRNB4 P30926 1/20 0.36
SLC6A4 P31645 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36

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
SCHEMBL16502360 0.85 GABRA1 (0.40) CA12CA1CA2CA9CA14
SCHEMBL21957333 0.85 GPR27 (0.38) LMNACA12CA1CA2CA9
SCHEMBL31455815 0.85 AAK1 (0.39) LMNACA12CA1CA2CA9
Ethane SCHEMBL4643089 0.83 LCK (0.37) LMNACA12CA1CA2CA9
Ethane SCHEMBL4641164 0.83 LCK (0.37) LMNACA12CA1CA2CA9
SCHEMBL6910969 0.82 MAPK1 (0.43) LMNACA12CA1CA2CA9
SCHEMBL4628623 0.82 MAPK1 (0.43) LMNACA12CA1CA2CA9
SCHEMBL31455919 0.81 KDM4E (0.41) LMNACA12CA1CA2CA9
SCHEMBL6350428 0.81 CYP2C9 (0.41) CA12CA1CA2CA9CA14
SCHEMBL31385726 0.79 NOTUM (0.45) LMNACA12CA1CA2CA9

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-2025059562-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS AND METHODS OF TREATING DISEASE USING SAME ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed