SCHEMBL21343687

SCHEMBL21343687

Cc1cc(C)c(C2C(=O)CC3(CCN(C(=O)CC#N)CC3)CC2=O)c(C)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
JAK1 P23458 8/20 0.38
JAK2 O60674 7/20 0.38
IRAK4 Q9NWZ3 7/20 0.36
JAK3 P52333 2/20 0.36
TYK2 P29597 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
NAMPT P43490 1/20 0.33

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
SCHEMBL22941608 0.88 JAK1 (0.36) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL21343740 0.86 MEN1 (0.36) MEN1ALDH1A1KMT2ATSHR
SCHEMBL21361256 0.86 GRIN2B (0.38) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL21361224 0.84 JAK1 (0.39) JAK1JAK2IRAK4JAK3
SCHEMBL21343905 0.83 FFAR4 (0.32) MEN1ALDH1A1KMT2ATSHRNPSR1
SCHEMBL21361221 0.82 USP2 (0.40) MEN1ALDH1A1KMT2ATSHR
SCHEMBL22992131 0.81 IRAK4 (0.33) KDM4EMEN1ALDH1A1MAPTKMT2A
SCHEMBL21361223 0.81 JAK2 (0.37) JAK1JAK2IRAK4JAK3
SCHEMBL24426540 0.81 MEN1 (0.33) MEN1ALDH1A1KMT2ATSHR
SCHEMBL21344722 0.81 HSP90AA1 (0.36) KDM4EALDH1A1

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-2019170745-A1 HERBICIDAL COMPOUNDS SYNGENTA PARTICIPATIONS AG (CH) 2019-09-12 WO disclosed