SCHEMBL31544342

SCHEMBL31544342

O=c1cc(OO)oc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.59
USP2 O75604 1/20 0.59
CSNK2A2 P19784 1/20 0.59
PTGS1 P23219 1/20 0.59
CSNK2B P67870 1/20 0.59
CSNK2A1 P68400 1/20 0.59
CSNK2A3 Q8NEV1 1/20 0.59
TNKS O95271 7/20 0.51
CYP3A4 P08684 5/20 0.51
HPGD P15428 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NPC1 O15118 4/20 0.51
PARP1 P09874 4/20 0.51
TNKS2 Q9H2K2 4/20 0.51
RAB9A P51151 3/20 0.51
TP53 P04637 3/20 0.51
PLA2G2A P14555 1/20 0.51
PLA2G4A P47712 1/20 0.51
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51

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
SCHEMBL4657823 0.82 NPC1 (0.54) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL2981579 0.81 NPC1 (0.58) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL7805457 0.81 TNKS (0.51) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL1864108 0.81 KDM4E (0.58) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL27476973 0.80 KDM4E (0.53) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL7461187 0.80 KDM4E (0.53) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL12601222 0.79 SMN1; SMN2 (0.49) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL5607749 0.77 MAPT (0.50) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL28642694 0.77 HPGD (0.50) KDM4EUSP2CSNK2A2PTGS1CSNK2B
SCHEMBL28647464 0.75 HPGD (0.48) KDM4EUSP2CSNK2A2PTGS1CSNK2B

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-114269910-B Adenosine diphosphate ribose cyclase and inhibitors thereof 全北大学校产学协力团 2025-04-08 CN disclosed