SCHEMBL31440622

SCHEMBL31440622

COC(=O)c1cc(Br)cc(Oc2c(C)cc(F)cc2C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.48
USP2 O75604 1/20 0.42
PPARA Q07869 2/20 0.39
KDM4E B2RXH2 5/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.36
NFKB1 P19838 1/20 0.36
XDH P47989 1/20 0.36
GFER P55789 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
FUT7 Q11130 1/20 0.36

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
SCHEMBL31440571 0.80 PTPN1 (0.31) AR
SCHEMBL2825430 0.78 NOTUM (0.62) NOTUMKDM4ECA12CA1CA2
SCHEMBL29453088 0.78 NOTUM (0.62) NOTUMKDM4ECA12CA1CA2
SCHEMBL31440555 0.76 PTPN1 (0.38) TDP1ARALDH1A1MAPK1
SCHEMBL1188442 0.75 NOTUM (0.57) NOTUMKDM4ECA12CA1CA2
SCHEMBL21544797 0.74 NOTUM (0.49) NOTUMUSP2PPARAKDM4ECA12
SCHEMBL30498825 0.74 NOTUM (0.49) NOTUMUSP2PPARAKDM4ECA12
SCHEMBL22400441 0.73 NOTUM (0.55) NOTUMKDM4ECA12CA1CA2
SCHEMBL31401414 0.73 NOTUM (0.64) NOTUMUSP2KDM4ECA12CA1
SCHEMBL29528596 0.73 NOTUM (0.55) NOTUMKDM4ECA12CA1CA2

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-2025014200-A1 COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME 주식회사 티움바이오 2025-01-16 WO disclosed