SCHEMBL30103035

SCHEMBL30103035

COc1cc(F)cc(-c2ncc(Cn3ncc4cc(Cl)cc(C(=O)O)c43)cn2)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.38
ALKBH1 Q13686 1/20 0.38
KDM4E B2RXH2 1/20 0.35
LDHA P00338 1/20 0.34
ROCK2 O75116 2/20 0.34
GRK6 P43250 1/20 0.34
KMT2A Q03164 1/20 0.34
PTPN1 P18031 3/20 0.34
CHRM1 P11229 1/20 0.33
EPHX2 P34913 1/20 0.33
PPARG P37231 1/20 0.33
MET P08581 1/20 0.33
DHODH Q02127 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32

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
SCHEMBL24784619 1.00 P2RX7 (0.38) P2RX7ALKBH1KDM4ELDHAROCK2
SCHEMBL24785460 0.93 ALKBH1 (0.41) P2RX7ALKBH1LDHAROCK2GRK6
SCHEMBL30103033 0.93 ALKBH1 (0.41) P2RX7ALKBH1LDHAROCK2GRK6
SCHEMBL30103053 0.92 P2RX7 (0.39) P2RX7ALKBH1ROCK2GRK6KMT2A
SCHEMBL24784614 0.92 P2RX7 (0.39) P2RX7ALKBH1ROCK2GRK6KMT2A
SCHEMBL24784641 0.88 MDM2 (0.36) KDM4EKMT2A
SCHEMBL30103123 0.88 MDM2 (0.36) KDM4EKMT2A
SCHEMBL24784545 0.87 NPBWR1 (0.41) KDM4EKMT2APTPN1
SCHEMBL30103058 0.87 NPBWR1 (0.41) KDM4EKMT2APTPN1
SCHEMBL24784635 0.87 ALKBH1 (0.36) ALKBH1LDHAROCK2GRK6PTPN1

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