SCHEMBL17895992

SCHEMBL17895992

C=Cc1cnn(C)c1C=O

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 2/20 0.31
NPC1 O15118 2/20 0.31
HPGD P15428 2/20 0.31
RAB9A P51151 2/20 0.31
HIF1A Q16665 1/20 0.31
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL17895792 0.84 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1POLBKDM4ENPC1
SCHEMBL2516619 0.72
SCHEMBL15824998 0.72
SCHEMBL14937452 0.71
SCHEMBL26692277 0.71
SCHEMBL24962376 0.71
SCHEMBL568791 0.71
SCHEMBL16322235 0.71
SCHEMBL21248145 0.71 KDM4E (0.40) SMN1; SMN2ALDH1A1KDM4ENPC1HPGD
SCHEMBL21393781 0.71 KDM4E (0.30) ALDH1A1POLBKDM4EHIF1A

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-2016109706-A1 FUSED POLYCYCLIC 2-PYRIDINONE ANTIBACTERIAL COMPOUNDS PTC THERAPEUTICS, INC. (US) 2016-07-07 WO disclosed