SCHEMBL8524637

SCHEMBL8524637

CN(C)/C=C(/C(=O)c1ccccc1-n1cncn1)C(=O)C1CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.45
HCRTR2 O43614 2/20 0.45
LMNA P02545 2/20 0.41
MGLL Q99685 2/20 0.41
KMT2A Q03164 1/20 0.34
HSP90AA1 P07900 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 2/20 0.32
CYP2C9 P11712 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
GPR119 Q8TDV5 2/20 0.32
KDM4E B2RXH2 1/20 0.31
SYK P43405 1/20 0.31

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
SCHEMBL8524639 1.00 HCRTR1 (0.45) HCRTR1HCRTR2LMNAMGLLKMT2A
SCHEMBL8526439 0.83 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL8526441 0.83 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL8524662 0.83 ALDH1A1 (0.44) HCRTR1LMNAMGLLMAPTSMN1; SMN2
SCHEMBL1822534 0.81 LMNA (0.35) HCRTR1HCRTR2LMNAKMT2AHSP90AA1
SCHEMBL1822223 0.81 LMNA (0.35) HCRTR1HCRTR2LMNAKMT2AHSP90AA1
SCHEMBL1822226 0.81 LMNA (0.35) HCRTR1HCRTR2LMNAKMT2AHSP90AA1
SCHEMBL8491859 0.80 SMN1; SMN2 (0.40) HCRTR1HCRTR2LMNAMGLLHSP90AA1
SCHEMBL1824608 0.78 LMNA (0.33) LMNAMGLLHSP90AA1MAPTHTT
SCHEMBL2401819 0.78 LMNA (0.33) LMNAMGLLHSP90AA1MAPTHTT

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