SCHEMBL9702809

SCHEMBL9702809

C=CO.Cc1ccc[nH]c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.47
NAPRT Q6XQN6 1/20 0.42
AURKA O14965 1/20 0.42
AURKB Q96GD4 1/20 0.42
INCENP Q9NQS7 1/20 0.42
MCL1 Q07820 1/20 0.38
BLM P54132 3/20 0.37
TSHR P16473 1/20 0.37
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36
ATM Q13315 1/20 0.36
ERAP1 Q9NZ08 1/20 0.36
PDPK1 O15530 1/20 0.36
KDR P35968 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 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
SCHEMBL146698 0.87
Hydrogen Sulfide SCHEMBL27904031 0.85
SCHEMBL27508884 0.82 MCL1 (0.53) DAONAPRTAURKAAURKBINCENP
Biphenyl SCHEMBL9277907 0.78 MAPT (0.44) DAONAPRTAURKAAURKBINCENP
Monoethanolamine SCHEMBL27608198 0.77 DAO (0.44) DAONAPRTAURKAAURKBINCENP
Chlorobenzene SCHEMBL27770107 0.74 TSHR (0.42) DAONAPRTAURKAAURKBINCENP
Trifluoromethanesulfonic Acid SCHEMBL28112506 0.74 DAO (0.46) DAONAPRTAURKAAURKBINCENP
SCHEMBL19496948 0.72 MAPK14 (0.38) DAONAPRTAURKAAURKBINCENP
Phenylhydrazine SCHEMBL9701687 0.71 IDO1 (0.48) DAONAPRTAURKAAURKBINCENP
O-Xylene SCHEMBL8642954 0.70 TSHR (0.62) TSHRNPC1RAB9AATM

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-1992003732-A2 COMPOSITIONS AND METHODS FOR ENHANCED BINDING IN BIOLOGICAL ASSAYS BIOPROBE INTERNATIONAL, INC. (US) 1992-03-05 WO disclosed