SCHEMBL28999822

SCHEMBL28999822

O=COC(=O)c1cccc(I)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 1/20 0.41
▸ HCRTR2 O43614 1/20 0.41
▸ HDAC1 Q13547 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ GRM5 P41594 1/20 0.39
▸ F2 P00734 1/20 0.38
▸ MTOR P42345 3/20 0.37
▸ TP53BP1 Q12888 1/20 0.37
▸ ATM Q13315 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ PTPN1 P18031 1/20 0.36
▸ KAT6A Q92794 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ UNG P13051 1/20 0.35
▸ ERN1 O75460 1/20 0.35
▸ UBE2D3 P61077 1/20 0.34

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
SCHEMBL556974 0.88 TDP1 (0.44) HCRTR1HCRTR2F2ATMTDP1
SCHEMBL25295747 0.81 UNG (0.55) ATMTDP1L3MBTL1UNGERN1
SCHEMBL11264665 0.80 HDAC1 (0.42) HCRTR1HCRTR2HDAC1HDAC2GRM5
SCHEMBL27541340 0.79 TSHR (0.55) HCRTR1HCRTR2ERN1
SCHEMBL6422675 0.79 MTOR (0.43) HCRTR1HCRTR2HDAC1HDAC2GRM5
SCHEMBL8172770 0.78 PARP1 (0.53) TDP1
SCHEMBL22734773 0.78 PARP1 (0.53) TDP1L3MBTL1
SCHEMBL22734816 0.78 PARP1 (0.53) L3MBTL1PTPN1
SCHEMBL28220288 0.78 CES2 (0.57) HDAC1TDP1
SCHEMBL6971830 0.77 HDAC1 (0.41) HCRTR1HCRTR2HDAC1HDAC2GRM5

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-110974816-B Application of difunctional iodinated carboxylic acid as coxsackievirus inhibitor 湖北工业大学 2023-05-16 — — CN disclosed
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