SCHEMBL30968495

SCHEMBL30968495

COC(=O)C1=C(O)c2cnc(Cl)cc2CC1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
RAB9A P51151 2/20 0.35
GLA P06280 2/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A3 Q01959 9/20 0.35
SLC6A2 P23975 5/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.32
USP2 O75604 1/20 0.32
KMT2A Q03164 1/20 0.31
OPRK1 P41145 1/20 0.31
LMNA P02545 2/20 0.31
MAPK1 P28482 1/20 0.31
POLQ O75417 1/20 0.31

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
SCHEMBL20722748 1.00 KDM4E (0.35) KDM4EL3MBTL1MAPTRAB9AGLA
SCHEMBL21474580 0.74 SLC6A3 (0.44) KDM4EL3MBTL1MAPTRAB9ASLC6A3
SCHEMBL27617877 0.70 ALDH1A1 (0.56) KDM4EL3MBTL1MAPTRAB9AGLA
SCHEMBL12389716 0.70 CA12 (0.47) KDM4EL3MBTL1MAPTRAB9AGLA
SCHEMBL20136606 0.67 SLC6A3 (0.42) MAPTRAB9AGAASLC6A3SLC6A2
SCHEMBL16798334 0.67 CASP1 (0.41)
SCHEMBL30415198 0.67 CASP1 (0.41)
SCHEMBL24773853 0.66 CA12 (0.49) KDM4EL3MBTL1MAPTGAATDP1
SCHEMBL22321497 0.66 CA12 (0.49) KDM4EL3MBTL1GLAGAATDP1
SCHEMBL31387952 0.66 CA12 (0.49) KDM4EL3MBTL1MAPTGAATDP1

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-112867712-B Carboxamide as ubiquitin-specific protease inhibitor 瓦洛早期发现股份有限公司 2024-07-16 CN disclosed