SCHEMBL31474570

SCHEMBL31474570

COc1ccc(C(=O)O)nc1.[Ir]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 9/20 0.59
KDM4E B2RXH2 5/20 0.56
L3MBTL1 Q9Y468 3/20 0.56
MAPK1 P28482 1/20 0.56
P4HA1 P13674 1/20 0.52
MIF P14174 1/20 0.52
ALDH1A1 P00352 3/20 0.50
CSNK2A2 P19784 1/20 0.49
CSNK2A1 P68400 1/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ASPH Q12797 1/20 0.47
RIOX2 Q8IUF8 1/20 0.47
KDM8 Q8N371 1/20 0.47
MAPT P10636 2/20 0.46
HPGD P15428 1/20 0.46
RECQL P46063 1/20 0.46
DRD3 P35462 1/20 0.46
MEN1 O00255 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL287134 0.98 P4HTM (0.60) P4HTMKDM4EL3MBTL1MAPK1P4HA1
Hydrochloric Acid SCHEMBL11192074 0.96 P4HTM (0.59) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL16011699 0.96 P4HTM (0.59) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL2268319 0.96 P4HTM (0.59) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL9317975 0.90 P4HTM (0.54) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL9317978 0.88 KDM4E (0.53) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL11411697 0.87 P4HTM (0.58) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL17006990 0.85 P4HTM (0.53) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL14167412 0.83 KDM4E (0.54) P4HTMKDM4EL3MBTL1MAPK1P4HA1
SCHEMBL2187078 0.82 DRD3 (0.47) P4HTMKDM4EL3MBTL1MAPK1ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119591507-A Gem-difluorocyclopentane compounds and methods of synthesizing the same 南通大学 2025-03-11 CN claimed
CN-119591507-A Gem-difluorocyclopentane compounds and methods of synthesizing the same 南通大学 2025-03-11 CN disclosed