SCHEMBL30765409

SCHEMBL30765409

COc1cc(-c2cc3nccc(-c4cccc(S(=O)(=O)N5CCOCC5)c4)c3o2)cc(OC)c1OC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 7/20 0.44
BRD4 O60885 1/20 0.44
GAA P10253 4/20 0.42
USP2 O75604 3/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KDM4E B2RXH2 4/20 0.42
LMNA P02545 2/20 0.42
MAPT P10636 4/20 0.42
HPGD P15428 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RXFP1 Q9HBX9 2/20 0.42
ALOX15 P16050 1/20 0.42
MAPK1 P28482 2/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL722404 0.84 PDE4C (0.46) GAAUSP2KDM4EHPGDHSD17B10
SCHEMBL27260526 0.84 PDE4C (0.43) ALDH1A1GAAUSP2CYP1A2KDM4E
SCHEMBL30765218 0.84 PDE4C (0.43) ALDH1A1GAAUSP2CYP1A2KDM4E
SCHEMBL722179 0.84 CA1 (0.58) GAAUSP2KDM4EHPGDHSD17B10
SCHEMBL722188 0.82 PDE4C (0.44) KMT2AALDH1A1GAAUSP2KDM4E
SCHEMBL723230 0.81 JAK1 (0.54) SMN1; SMN2KMT2AALDH1A1GAAL3MBTL1
SCHEMBL30765331 0.81 JAK1 (0.54) SMN1; SMN2KMT2AALDH1A1GAAL3MBTL1
SCHEMBL30765266 0.81 PIK3CD (0.45) KMT2AALDH1A1BRD4GAAUSP2
SCHEMBL30765417 0.80 BRD4 (0.46) SMN1; SMN2ALDH1A1BRD4KDM4ELMNA
SCHEMBL27260528 0.80 PDE4C (0.42) ALDH1A1GAAUSP2CYP3A4KDM4E

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
WO-2024033280-A1 FUROPYRIDIN AND FUROPYRIMIDIN, INHIBITORS OF PI4K, FOR USE IN THE TREATMENT OF PARASITE INFECTION AND MALARIA MERCK PATENT GMBH (DE) 2024-02-15 WO disclosed