SCHEMBL31361386

SCHEMBL31361386

COC(=O)c1ccc(OC)c(N(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.58
KMT2A Q03164 4/20 0.53
MEN1 O00255 3/20 0.49
CA1 P00915 4/20 0.49
CA2 P00918 4/20 0.49
CA12 O43570 3/20 0.49
CA7 P43166 3/20 0.49
CA9 Q16790 3/20 0.49
CA14 Q9ULX7 3/20 0.49
XDH P47989 1/20 0.49
ALDH1A1 P00352 2/20 0.48
CYP2C9 P11712 4/20 0.47
CYP3A4 P08684 2/20 0.46
CYP1A2 P05177 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
ATM Q13315 2/20 0.46
LMNA P02545 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
USP2 O75604 1/20 0.45

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
SCHEMBL28673039 1.00 MAPT (0.58) MAPTKMT2AMEN1CA1CA2
SCHEMBL27639258 0.85 MAPT (0.54) MAPTKMT2AMEN1CA1CA2
SCHEMBL16554589 0.84 CA12 (0.65) CA1CA2CA12CA7CA9
SCHEMBL7612403 0.82 MAPT (0.54) MAPTKMT2AMEN1CA1CA2
SCHEMBL17512372 0.82 MAPT (0.50) MAPTKMT2AMEN1CA1CA2
SCHEMBL8922678 0.81 KDM4E (0.59) MAPTKMT2ACA1CA2CA12
SCHEMBL5152555 0.81 CA1 (0.65) MAPTKMT2AMEN1CA1CA2
SCHEMBL8698365 0.81 ALDH1A1 (0.65) MAPTKMT2AMEN1CA1CA2
Veratric Acid Methyl Ester SCHEMBL29573244 0.80 MAPT (0.86) MAPTKMT2AMEN1CA1CA2
Veratric Acid Methyl Ester SCHEMBL2050732 0.80 MAPT (0.86) MAPTKMT2AMEN1CA1CA2

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-113999232-B MAT2A inhibitors 南京正大天晴制药有限公司 2025-01-07 CN disclosed