SCHEMBL5283403

SCHEMBL5283403

C=Cc1ccccc1-c1[nH]c2cc(C(=O)OC)ccc2c1C1CCCCC1.COC(=O)c1ccc2c(C3CCCCC3)c(Br)[nH]c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 3/20 0.44
KIF11 P52732 1/20 0.43
GSK3B P49841 2/20 0.37
CCNB2 O95067 1/20 0.37
CDK1 P06493 1/20 0.37
CCNB1 P14635 1/20 0.37
MDH2 P40926 1/20 0.37
CCNB3 Q8WWL7 1/20 0.37
NPY5R Q15761 1/20 0.36
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
RAB9A P51151 1/20 0.35
CSNK2A1 P68400 1/20 0.35
MAPK1 P28482 1/20 0.35
HPGD P15428 1/20 0.34
CNR1 P21554 1/20 0.34
ATM Q13315 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL3088394 0.95 PARP1 (0.48) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3247853 0.86 PARP1 (0.49) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL4562814 0.86 PARP1 (0.45) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL50237 0.84 PARP1 (0.50) PARP1KIF11GSK3BALDH1A1SMN1; SMN2
SCHEMBL3361180 0.83 PARP1 (0.44) PARP1GSK3BCCNB2CDK1CCNB1
SCHEMBL1173615 0.83 KIF11 (0.51) PARP1KIF11GSK3BALDH1A1SMN1; SMN2
SCHEMBL393420 0.81 PARP1 (0.52) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL3981796 0.81 PARP1 (0.36) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL4825608 0.81 PARP1 (0.43) PARP1KIF11GSK3BCCNB2CDK1
SCHEMBL393756 0.81 PARP1 (0.51) PARP1KIF11GSK3BCCNB2CDK1

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-1807403-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS Istituto di Richerche di Biologia Molecolare P. Angeletti S.p.A. (IT) 2007-07-18 EP disclosed
WO-2006046030-A2 TETRACYCLIC INDOLE DERIVATIVES AS ANTIVIRAL AGENTS ISTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P ANGELETTI SPA (IT) 2006-05-04 WO disclosed