SCHEMBL28848352

SCHEMBL28848352

COC(=O)c1cc(C(=O)O)cnc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.46
MAPK1 P28482 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM6B O15054 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44
HCAR2 Q8TDS4 2/20 0.41
NAPRT Q6XQN6 1/20 0.41
ALDH1A1 P00352 3/20 0.40
ABL1 P00519 1/20 0.39
HCAR3 P49019 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
AXL P30530 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
SCHEMBL3520084 0.90 MAPK1 (0.47) KDM4EMAPK1L3MBTL1KDM6BKDM5C
SCHEMBL15712178 0.84 MAPK1 (0.39) KDM4EMAPK1L3MBTL1ALDH1A1ABL1
SCHEMBL15391826 0.83 CYP2C9 (0.56) KDM4EMAPK1ALDH1A1CYP2C9CYP2C19
SCHEMBL3517645 0.82 HCAR2 (0.48) KDM4EHCAR2NAPRTALDH1A1CYP2C9
SCHEMBL473981 0.81 OPRK1 (0.48) KDM4EL3MBTL1ALDH1A1ABL1GAA
SCHEMBL30816026 0.81 OPRK1 (0.48) KDM4EL3MBTL1ALDH1A1ABL1GAA
SCHEMBL31069006 0.80 KDM4E (0.46) KDM4EMAPK1L3MBTL1KDM6BKDM5C
SCHEMBL26101991 0.80 KDM4E (0.46) KDM4EMAPK1L3MBTL1KDM6BKDM5C
SCHEMBL31368194 0.79 CA12 (0.49) KDM4EALDH1A1ABL1GAAHSD17B10
SCHEMBL26660324 0.79 CA12 (0.49) KDM4EALDH1A1ABL1GAAHSD17B10

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-105612158-B The somatostatin receptor hypotype 5 (SSTR5) antagonist 武田药品工业株式会社 2017-06-30 CN disclosed