SCHEMBL30103094

SCHEMBL30103094

COc1cc(-c2ncc(Cn3ncc4cc(Cl)cc(C(=O)O)c43)cn2)ccc1F

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALKBH1 Q13686 2/20 0.41
KDM4E B2RXH2 2/20 0.40
CACNA1H O95180 6/20 0.39
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
GRK6 P43250 1/20 0.36
EGFR P00533 1/20 0.35
GRM5 P41594 1/20 0.35
USP1 O94782 2/20 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
SCHEMBL24785076 1.00 ALKBH1 (0.41) ALKBH1KDM4ECACNA1HMEN1LMNA
SCHEMBL24785368 0.94 ALKBH1 (0.40) ALKBH1KDM4ECACNA1HLMNAPDE4B
SCHEMBL30103017 0.94 ALKBH1 (0.40) ALKBH1KDM4ECACNA1HLMNAPDE4B
SCHEMBL30018338 0.92 CACNA1H (0.40) ALKBH1CACNA1HGRIN1GRIN2B
SCHEMBL24785079 0.92 CACNA1H (0.40) ALKBH1CACNA1HGRIN1GRIN2B
SCHEMBL30103066 0.89 CACNA1H (0.40) ALKBH1KDM4ECACNA1HMEN1LMNA
SCHEMBL24784545 0.87 NPBWR1 (0.41) KDM4EMEN1KMT2A
SCHEMBL30103058 0.87 NPBWR1 (0.41) KDM4EMEN1KMT2A
SCHEMBL24785366 0.86 BRD4 (0.41) ALKBH1CACNA1H
SCHEMBL30018129 0.86 BRD4 (0.41) ALKBH1CACNA1H

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