SCHEMBL30015840

SCHEMBL30015840

NNC(=O)c1ccc(C(=O)NN)c(Br)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OGG1 O15527 1/20 0.57
GFER P55789 2/20 0.48
MPO P05164 2/20 0.48
CYP3A4 P08684 2/20 0.48
BLM P54132 2/20 0.48
KDM5A P29375 1/20 0.48
PMP22 Q01453 1/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 7/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA9 Q16790 1/20 0.47
MAPT P10636 5/20 0.47
LMNA P02545 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
MYC P01106 1/20 0.46
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
NPC1 O15118 2/20 0.43

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
SCHEMBL21638086 1.00 OGG1 (0.57) OGG1GFERMPOCYP3A4BLM
SCHEMBL1483367 0.84 MAPT (0.59) OGG1GFERMPOCYP3A4BLM
SCHEMBL29567541 0.82 GFER (0.54) OGG1GFERMPOCYP3A4BLM
SCHEMBL1030232 0.82 GFER (0.54) OGG1GFERMPOCYP3A4BLM
SCHEMBL2648578 0.81 OGG1 (0.57) OGG1GFERMPOCYP3A4BLM
SCHEMBL8226668 0.79 OGG1 (0.55) OGG1GFERMPOCYP3A4BLM
SCHEMBL381978 0.79 KDM4E (0.68) OGG1GFERHIF1AALDH1A1KDM4E
SCHEMBL1878372 0.79 HPGD (0.62) OGG1ALDH1A1KDM4EMAPTLMNA
SCHEMBL11920159 0.79 ALDH1A1 (0.46) OGG1GFERALDH1A1KDM4EMAPT
SCHEMBL6154331 0.79 KDM4E (0.55) OGG1GFERMPOCYP3A4BLM

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
US-11511348-B2 Three-dimensional printing HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. (US) 2022-11-29 US disclosed