SCHEMBL30103097

SCHEMBL30103097

COc1ccc(-c2cnc(Cn3ncc4cc(Cl)cc(C(=O)O)c43)cn2)cc1F

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.38
KDM4E B2RXH2 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
PTGIR P43119 1/20 0.37
ALDH1A1 P00352 2/20 0.36
MAPK1 P28482 1/20 0.36
CACNA1H O95180 1/20 0.36
ALKBH1 Q13686 1/20 0.35
BRD4 O60885 1/20 0.35
KMO O15229 1/20 0.35
MAPK9 P45984 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
NEK2 P51955 1/20 0.35
DHODH Q02127 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35

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
SCHEMBL24785815 1.00 GRIN2B (0.38) GRIN2BKDM4EL3MBTL1MEN1LMNA
SCHEMBL24785825 0.94 KDM4E (0.39) GRIN2BKDM4EMEN1LMNAKMT2A
SCHEMBL30103031 0.94 KDM4E (0.39) GRIN2BKDM4EMEN1LMNAKMT2A
SCHEMBL30018152 0.92 GRIN2B (0.38) GRIN2BKDM4EL3MBTL1PTGIRALDH1A1
SCHEMBL24785813 0.92 GRIN2B (0.38) GRIN2BKDM4EL3MBTL1PTGIRALDH1A1
SCHEMBL24785847 0.88 BRD4 (0.40) KDM4EMEN1LMNAKMT2ACACNA1H
SCHEMBL30103081 0.88 BRD4 (0.40) KDM4EMEN1LMNAKMT2ACACNA1H
SCHEMBL30103113 0.86 CACNA1H (0.38) GRIN2BCACNA1HDHODH
SCHEMBL24785835 0.86 CACNA1H (0.38) GRIN2BCACNA1HDHODH
SCHEMBL24785368 0.84 ALKBH1 (0.40) KDM4ELMNAPTGIRALDH1A1MAPK1

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-115448913-A Bicyclic compounds for the treatment of EP2, EP4 receptor mediated diseases 武汉人福创新药物研发中心有限公司 2022-12-09 CN disclosed