SCHEMBL8524835

SCHEMBL8524835

CCOC(=O)c1noc(C2CC2)c1C(=O)c1ccc(-n2ccnn2)c(C)c1CC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 6/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ALDH1A1 P00352 2/20 0.33
HTT P42858 1/20 0.32
HCRTR1 O43613 3/20 0.31
HSP90AA1 P07900 1/20 0.31
HPGD P15428 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
PDK1 Q15118 1/20 0.30
PDK2 Q15119 1/20 0.30
PDK3 Q15120 1/20 0.30
PDK4 Q16654 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
SCHEMBL8524833 0.90 KDM4E (0.34) HCRTR2TSHRKDM4EMEN1USP2
SCHEMBL8525068 0.88 HCRTR2 (0.35) HCRTR2TSHRKDM4EMEN1USP2
SCHEMBL8494706 0.88 KDM4E (0.39) TSHRKDM4EMEN1USP2LMNA
SCHEMBL8525222 0.87 HCRTR2 (0.36) HCRTR2TSHRKDM4EMEN1USP2
SCHEMBL8524560 0.86 HCRTR2 (0.42) HCRTR2TSHRKDM4EMEN1USP2
SCHEMBL8491729 0.85 L3MBTL1 (0.35) HCRTR2TSHRKDM4EMEN1USP2
SCHEMBL8525765 0.85 LMNA (0.34) HCRTR2TSHRKDM4EMEN1USP2
SCHEMBL8525066 0.84 HCRTR2 (0.32) HCRTR2TSHRKDM4EMEN1USP2
SCHEMBL8525219 0.83 HCRTR2 (0.33) HCRTR2TSHRKDM4EMEN1USP2
SCHEMBL8490879 0.83 ALDH1A1 (0.38) HCRTR2TSHRKDM4EMEN1USP2

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-1999003856-A1 4-BENZOYL-ISOXAZOLE- AND -PYRAZOLE DERIVATIVES AND 2-CYANO 1,3-DIONE DERIVATIVES AS HERBICIDES RHONE-POULENC AGRICULTURE LIMITED (GB) 1999-01-28 WO disclosed