SCHEMBL30103031

SCHEMBL30103031

COc1cc(-c2cnc(Cn3ncc4cc(Cl)cc(C(=O)O)c43)cn2)ccc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
GRIN2B Q13224 6/20 0.37
NEK2 P51955 4/20 0.37
CACNA1H O95180 2/20 0.36
ALKBH1 Q13686 1/20 0.36
KDM1A O60341 1/20 0.35
GRK6 P43250 1/20 0.35
GRM5 P41594 1/20 0.35
DHODH Q02127 1/20 0.34
GRIN1 Q05586 1/20 0.34

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
SCHEMBL24785825 1.00 KDM4E (0.39) KDM4EMEN1LMNAKMT2AGRIN2B
SCHEMBL24785815 0.94 GRIN2B (0.38) KDM4EMEN1LMNAKMT2AGRIN2B
SCHEMBL30103097 0.94 GRIN2B (0.38) KDM4EMEN1LMNAKMT2AGRIN2B
SCHEMBL30103113 0.92 CACNA1H (0.38) GRIN2BCACNA1HKDM1ADHODHGRIN1
SCHEMBL24785835 0.92 CACNA1H (0.38) GRIN2BCACNA1HKDM1ADHODHGRIN1
SCHEMBL30103059 0.89 KDM4E (0.40) KDM4EGRIN2BCACNA1HALKBH1GRK6
SCHEMBL30103066 0.88 CACNA1H (0.40) KDM4EMEN1LMNAKMT2AGRIN2B
SCHEMBL24785054 0.86 GRIN2B (0.38) GRIN2BKDM1AGRM5GRIN1
SCHEMBL24785813 0.86 GRIN2B (0.38) KDM4EGRIN2BCACNA1H
SCHEMBL30018152 0.86 GRIN2B (0.38) KDM4EGRIN2BCACNA1H

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