SCHEMBL31440620

SCHEMBL31440620

COC(=O)c1cc(Br)cc(Oc2ccc(C)c(Cl)c2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.43
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NR1H2 P55055 1/20 0.40
NR1H3 Q13133 1/20 0.40
USP2 O75604 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
ALDH1A1 P00352 2/20 0.40
MAPT P10636 5/20 0.39
CHEK2 O96017 1/20 0.39
KMO O15229 1/20 0.39
POLB P06746 2/20 0.39
KCNH2 Q12809 2/20 0.39
ATM Q13315 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL10895053 0.75 USP2 (0.53) NOTUMMEN1KMT2AUSP2L3MBTL1
SCHEMBL1107727 0.75 NOTUM (0.47) NOTUMUSP2KCNH2
SCHEMBL1188442 0.73 NOTUM (0.57) NOTUMMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL31161838 0.73 ALDH1A1 (0.56) NOTUMMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL821888 0.73 ALDH1A1 (0.56) NOTUMMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL31440549 0.73 GLO1 (0.39) KMT2AALDH1A1MAPTPOLBLMNA
SCHEMBL31440580 0.73 HSP90AA1 (0.40) MEN1KMT2ANR1H2NR1H3L3MBTL1
SCHEMBL31440574 0.73 HSP90AA1 (0.40) MEN1KMT2ANR1H2NR1H3L3MBTL1
SCHEMBL31440622 0.73 NOTUM (0.48) NOTUMMEN1KMT2AUSP2L3MBTL1
SCHEMBL14396803 0.72 HTR2A (0.51) MEN1KMT2AL3MBTL1MAPTCHEK2

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