SCHEMBL7399455

SCHEMBL7399455

Cc1noc(C)c1N.O=C(Cl)C(=O)Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1F O60840 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38
BRD4 O60885 2/20 0.36
ATAD2 Q6PL18 1/20 0.36
ALDH1A1 P00352 5/20 0.33
LMNA P02545 2/20 0.33
TSHR P16473 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX7 Q99572 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ATM Q13315 1/20 0.33
BRD2 P25440 1/20 0.33
CREBBP Q92793 1/20 0.33
HSD17B10 Q99714 2/20 0.33
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
CASP1 P29466 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
SCHEMBL70884 0.84
SCHEMBL27573937 0.70
SCHEMBL193631 0.70 LMNA (0.50) ALDH1A1LMNATSHRL3MBTL1MEN1
SCHEMBL5156756 0.69
SCHEMBL29951225 0.68 HCAR2 (0.41) BRD4ATAD2ALDH1A1LMNAMEN1
SCHEMBL3055365 0.67 CYP1A2 (0.47) BRD4ALDH1A1LMNATSHRL3MBTL1
SCHEMBL2972393 0.67 P2RX7 (0.53) ALDH1A1P2RX7MEN1KMT2AATM
SCHEMBL3299738 0.66
SCHEMBL29579760 0.65 GAA (0.42) BRD4ALDH1A1LMNAL3MBTL1P2RX7
SCHEMBL352276 0.65 GAA (0.53) ALDH1A1LMNATSHRL3MBTL1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261605-A1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS Darwin Discovery Limited (GB) 2002-12-04 EP disclosed
WO-2001058896-A1 BENZOXAZOLE DERIVATIVES AS TNF AND PDE IV INHIBITORS DARWIN DISCOVERY LIMITED (GB) 2001-08-16 WO disclosed