SCHEMBL4808618

SCHEMBL4808618

COc1ccc(-c2cccc3c2C=Nc2cc(C(N)=O)ccc2S3)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK2 O96017 5/20 0.43
MAP4K4 O95819 1/20 0.43
PARP1 P09874 2/20 0.41
PARP10 Q53GL7 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
PARP2 Q9UGN5 1/20 0.41
PARP4 Q9UKK3 1/20 0.41
PLAU P00749 1/20 0.40
PLAT P00750 1/20 0.40
MAPKAPK2 P49137 2/20 0.40
PLEC Q15149 1/20 0.39
BCHE P06276 2/20 0.39
ACHE P22303 2/20 0.39
PRKCZ Q05513 1/20 0.38
KDR P35968 1/20 0.38
TEK Q02763 1/20 0.38
MKNK1 Q9BUB5 1/20 0.38
MKNK2 Q9HBH9 1/20 0.38
IKBKB O14920 1/20 0.38

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
SCHEMBL4554153 0.81 HPGDS (0.44) CHEK2MAP4K4PARP1PARP10PLEC
SCHEMBL4147214 0.77 PARP1 (0.40) CHEK2PARP1PLECBCHEACHE
SCHEMBL30587300 0.71 TRPA1 (0.57) PARP1PLECBCHEACHEMKNK1
SCHEMBL13808020 0.70 CNR1 (0.57) PLEC
SCHEMBL5576871 0.70 CNR1 (0.69)
SCHEMBL4145291 0.70 POLB (0.44)
SCHEMBL4808624 0.67 RAB9A (0.54) PLAUBCHE
SCHEMBL4146318 0.67 CNR1 (0.35) PLECBCHEACHE
SCHEMBL3720494 0.66 PARP1 (0.67) MAP4K4PARP1PARP10CA1CA2
SCHEMBL13808034 0.65 CNR1 (0.56) PLEC

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-2008118141-A2 USE OF CANNABINOID MODULATING COMPOUNDS IN COMBINATION WITH OTHER THERAPEUTIC COMPOUNDS FOR ADJUNCTIVE THERAPY ACADIA PHARMACEUTICALS INC. (US) 2008-10-02 WO disclosed