SCHEMBL997499

SCHEMBL997499

NNC(=O)c1[c]cc[c]c1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 2/20 0.33
CYP3A4 P08684 2/20 0.33
BLM P54132 2/20 0.33
P2RX7 Q99572 1/20 0.33
KDM5A P29375 1/20 0.33
GFER P55789 1/20 0.33
PMP22 Q01453 1/20 0.33
HIF1A Q16665 1/20 0.33
KDM4E B2RXH2 3/20 0.32
MAPT P10636 3/20 0.32
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
NSD2 O96028 1/20 0.32
ALPL P05186 1/20 0.32
POLB P06746 1/20 0.32
ALPI P09923 1/20 0.32
GAA P10253 1/20 0.32
ALPG P10696 1/20 0.32
APEX1 P27695 1/20 0.32

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
SCHEMBL1260294 0.75
SCHEMBL1322434 0.71
SCHEMBL6364427 0.71 TSHR (0.34) GFERKDM4EMAPTALDH1A1LMNA
SCHEMBL4904390 0.71 GAA (0.39) MPOCYP3A4BLMP2RX7KDM5A
SCHEMBL6564590 0.67 MPO (0.58) MPOCYP3A4BLMKDM5AGFER
SCHEMBL9680995 0.67 ALPL (0.38) MPOCYP3A4BLMP2RX7KDM5A
SCHEMBL6204339 0.67 ALDH1A1 (0.49) MPOCYP3A4BLMKDM5AGFER
SCHEMBL10636542 0.67 KDM4E (0.37) MPOCYP3A4BLMP2RX7KDM5A
SCHEMBL11522568 0.66 HPGD (0.39) CYP3A4HIF1AKDM4EMAPTALDH1A1
SCHEMBL10716721 0.65 KDM4E (0.48) MPOCYP3A4BLMP2RX7KDM5A

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-2011008168-A1 ORGANIC LIGHT EMITTING MATERIALS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2011-01-20 WO disclosed