SCHEMBL18249551

SCHEMBL18249551

CCOc1cc2ccc[c]c2nc1C(N)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.40
TSHR P16473 3/20 0.39
MAPK1 P28482 1/20 0.39
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
GLA P06280 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 4/20 0.37
LMNA P02545 3/20 0.37
USP2 O75604 3/20 0.37
HSD17B10 Q99714 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
IRAK4 Q9NWZ3 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35

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
SCHEMBL11973582 0.77 PARP1 (0.36) MAPK1L3MBTL1KDM4ELMNAMEN1
SCHEMBL13835817 0.75 IKBKB (0.37) MKNK1MKNK2LMNAKMT2AALDH1A1
SCHEMBL3569772 0.69 KDM4E (0.44) KDM4EMEN1KMT2AIRAK4ALDH1A1
SCHEMBL3585656 0.69 IRAK1 (0.43) GLAKDM4EIRAK4ALDH1A1HPGD
SCHEMBL29941277 0.66 MKNK1 (0.48) TSHRMAPK1MKNK1MKNK2GLA
SCHEMBL6305012 0.66 MKNK1 (0.48) TSHRMAPK1MKNK1MKNK2GLA
SCHEMBL3583270 0.66 DGAT1 (0.36) KDM4ELMNAHSD17B10ALDH1A1HPGD
SCHEMBL16588903 0.65 TLR8 (0.59) TLR8GLAL3MBTL1KDM4ELMNA
SCHEMBL5265677 0.65 IRAK4 (0.44) TLR8GLAKDM4EKMT2AIRAK4
SCHEMBL19329369 0.64 PIM1 (0.49) KDM4ELMNAMEN1KMT2AALDH1A1

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-2016187544-A1 COMPOSITIONS AND METHODS FOR TREATING AND PREVENTING CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2016-11-24 WO disclosed