SCHEMBL7368290

SCHEMBL7368290

COc1cc(C[NH])ccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.45
ALDH1A1 P00352 7/20 0.44
MAPT P10636 2/20 0.44
PPARG P37231 1/20 0.43
PPARD Q03181 1/20 0.43
PPARA Q07869 1/20 0.43
TTR P02766 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
USP2 O75604 1/20 0.42
POLB P06746 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
ALOX12 P18054 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR1A P08908 4/20 0.41
HTR7 P34969 4/20 0.41

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
SCHEMBL1015099 0.84 KMT2A (0.56) CA2ALDH1A1MAPTPPARGPPARD
SCHEMBL31285935 0.82 TTR (0.60) CA2ALDH1A1MAPTPPARGPPARD
SCHEMBL252910 0.82 PTGS2 (0.52) CA2ALDH1A1MAPTTTRL3MBTL1
SCHEMBL2974160 0.82 TTR (0.60) CA2ALDH1A1MAPTPPARGPPARD
SCHEMBL638384 0.81 CA2 (0.68) CA2ALDH1A1MAPTPPARGPPARD
SCHEMBL1548047 0.80 NPC1 (0.53) CA2ALDH1A1MAPTTTRL3MBTL1
SCHEMBL10349093 0.80 CA2 (0.45) CA2ALDH1A1MAPTPPARGPPARD
SCHEMBL29673212 0.80 CSNK2A1 (0.51) CA2ALDH1A1MAPTTTRL3MBTL1
SCHEMBL30029152 0.80 ALDH1A1 (0.47) CA2ALDH1A1MAPTTTRL3MBTL1
SCHEMBL7668780 0.80 ALDH1A1 (0.47) CA2ALDH1A1MAPTTTRL3MBTL1

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-2001030745-A1 ANTHRANILIC ACID DERIVATIVES AS INHIBITORS OF THE CGMP-PHOSPHODIESTERASE FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-03 WO disclosed