SCHEMBL30103017

SCHEMBL30103017

COc1ccc(-c2ncc(Cn3ncc4cc(Cl)cc(C(=O)O)c43)cn2)cc1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 2/20 0.40
BRD4 O60885 1/20 0.40
KDM4E B2RXH2 1/20 0.39
CACNA1H O95180 4/20 0.39
PDE4B Q07343 2/20 0.38
PTGER4 P35408 2/20 0.38
PTGIR P43119 1/20 0.37
MAPK1 P28482 2/20 0.37
ALDH1A1 P00352 1/20 0.37
GRM2 Q14416 1/20 0.37
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
MCHR1 Q99705 1/20 0.36
PKM P14618 1/20 0.36
PKLR P30613 1/20 0.36

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
SCHEMBL24785368 1.00 ALKBH1 (0.40) ALKBH1BRD4KDM4ECACNA1HPDE4B
SCHEMBL24785076 0.94 ALKBH1 (0.41) ALKBH1KDM4ECACNA1HPDE4BLMNA
SCHEMBL30103094 0.94 ALKBH1 (0.41) ALKBH1KDM4ECACNA1HPDE4BLMNA
SCHEMBL30018129 0.92 BRD4 (0.41) ALKBH1BRD4CACNA1HPTGER4PTGIR
SCHEMBL24785366 0.92 BRD4 (0.41) ALKBH1BRD4CACNA1HPTGER4PTGIR
SCHEMBL24785847 0.90 BRD4 (0.40) ALKBH1BRD4KDM4ECACNA1HPTGER4
SCHEMBL30103081 0.90 BRD4 (0.40) ALKBH1BRD4KDM4ECACNA1HPTGER4
SCHEMBL24784545 0.86 NPBWR1 (0.41) KDM4EALDH1A1HTT
SCHEMBL30103058 0.86 NPBWR1 (0.41) KDM4EALDH1A1HTT
SCHEMBL24785079 0.86 CACNA1H (0.40) ALKBH1BRD4CACNA1H

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