SCHEMBL30103058

SCHEMBL30103058

COc1ccc(-c2ncc(Cn3ncc4cc(Cl)cc(C(=O)O)c43)cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 7/20 0.41
KDM4E B2RXH2 4/20 0.41
PTPN1 P18031 1/20 0.40
CCR2 P41597 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GCGR P47871 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38

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
SCHEMBL24784545 1.00 NPBWR1 (0.41) NPBWR1KDM4EPTPN1CCR2MEN1
SCHEMBL24784564 0.91 NPBWR1 (0.41) NPBWR1KDM4EMEN1KMT2AGCGR
SCHEMBL30103029 0.91 NPBWR1 (0.41) NPBWR1KDM4EMEN1KMT2AGCGR
SCHEMBL30103052 0.90 KMT2A (0.47) CCR2KMT2AEGLN1
SCHEMBL24785096 0.90 KMT2A (0.47) CCR2KMT2AEGLN1
SCHEMBL24785451 0.88 MEN1 (0.43) KDM4EMEN1KMT2ASMN1; SMN2EGLN1
SCHEMBL30018739 0.88 MEN1 (0.43) KDM4EMEN1KMT2ASMN1; SMN2EGLN1
SCHEMBL24785076 0.87 ALKBH1 (0.41) KDM4EMEN1KMT2A
SCHEMBL30103094 0.87 ALKBH1 (0.41) KDM4EMEN1KMT2A
SCHEMBL24784619 0.87 P2RX7 (0.38) KDM4EPTPN1KMT2A

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