SCHEMBL6996049

SCHEMBL6996049

CCOCOc1ccc(C#N)cc1-c1ccc2occc2c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.51
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
S1PR1 P21453 2/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.41
CA2 P00918 3/20 0.39
SYK P43405 1/20 0.38
AURKB Q96GD4 1/20 0.38
INCENP Q9NQS7 1/20 0.38
SLC22A12 Q96S37 1/20 0.37
CA12 O43570 2/20 0.37
ELANE P08246 2/20 0.37
CETP P11597 1/20 0.36
DYRK1A Q13627 3/20 0.35
PGR P06401 2/20 0.34
KDM1A O60341 1/20 0.34
CDK9 P50750 1/20 0.34

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
SCHEMBL5098838 0.77 KCNH2 (0.43) S1PR1PTGDR2SYKAURKBINCENP
SCHEMBL5089110 0.77 FNTA (0.42) S1PR1PTGDR2SYKAURKBINCENP
SCHEMBL5089060 0.77 PTGDR2 (0.48) PTGDR2
SCHEMBL6991437 0.76 CYP2A6 (0.64) CYP2A6CHRNB4CHRNA3CHRNA7CA2
SCHEMBL5089214 0.76 FNTA (0.47) S1PR1PTGDR2SYKAURKBINCENP
SCHEMBL5099574 0.76 PTGDR2 (0.53) PTGDR2
SCHEMBL5098841 0.76 FNTA (0.48) PTGDR2
SCHEMBL5091309 0.75 PTGDR2 (0.45) S1PR1PTGDR2SYKAURKBINCENP
SCHEMBL5094116 0.75 FNTA (0.47) PTGDR2SYK
SCHEMBL5091227 0.74 PGGT1B (0.44) S1PR1PTGDR2SYKAURKBINCENP

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-1339695-A1 FARNESYLTRANSFERASE INHIBITORS Abbott Laboratories (US) 2003-09-03 EP disclosed
WO-2002074747-A1 FARNESYLTRANSFERASE INHIBITORS ABBOTT LABORATORIES (US) 2002-09-26 WO disclosed