SCHEMBL7256182

SCHEMBL7256182

C/C(=C\C(=O)O)CN1C(=O)c2ccccc2C1=O

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.61
CA9 Q16790 1/20 0.61
ALDH1A1 P00352 6/20 0.57
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
POLB P06746 1/20 0.51
NPSR1 Q6W5P4 2/20 0.49
RAB9A P51151 2/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
NPC1 O15118 2/20 0.47

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
SCHEMBL7256187 1.00 CA12 (0.61) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL14481585 0.83 ALDH1A1 (0.53) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL14481584 0.83 ALDH1A1 (0.53) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL24370220 0.82 ALDH1A1 (0.65) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL14553331 0.82 ALDH1A1 (0.65) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL2671956 0.81 CA12 (0.57) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL2671953 0.81 CA12 (0.57) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL2671954 0.81 CA12 (0.57) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL10617346 0.79 ALDH1A1 (0.61) CA12CA9ALDH1A1KMT2AMEN1
SCHEMBL10617332 0.79 ALDH1A1 (0.61) CA12CA9ALDH1A1KMT2AMEN1

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-2003013526-A1 ANTICOAGULANT COMPOUNDS MERCK & CO. INC. (US) 2003-02-20 WO disclosed