SCHEMBL7198015

SCHEMBL7198015

O=C1C=CC(=O)N1c1cccc(-c2c[nH]c3ccccc23)c1-c1c[nH]c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 3/20 0.44
SIRT1 Q96EB6 1/20 0.44
PRKCB P05771 2/20 0.44
PRKCA P17252 2/20 0.44
PRKD3 O94806 1/20 0.44
CCNB2 O95067 1/20 0.44
CCNE2 O96020 1/20 0.44
ABL1 P00519 1/20 0.44
PRKCG P05129 1/20 0.44
CDK1 P06493 1/20 0.44
PIM1 P11309 1/20 0.44
CDK4 P11802 1/20 0.44
CCNB1 P14635 1/20 0.44
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
CCND1 P24385 1/20 0.44
PRKCH P24723 1/20 0.44
CCNE1 P24864 1/20 0.44
CDK2 P24941 1/20 0.44

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
SCHEMBL27519391 0.88 MGLL (0.51) SIRT2SIRT1PRKCBPRKCAPRKD3
SCHEMBL856333 0.77 TLR9 (0.52) SIRT2SIRT1PRKCBPRKCAPRKD3
SCHEMBL2362716 0.71 MGLL (0.57) CCNE1CDK2TLR9ALDH1A1NPSR1
SCHEMBL18392162 0.71 SIRT2 (0.61) SIRT2SIRT1PRKCBPRKCAPRKD3
SCHEMBL1202543 0.71 IMPDH2 (0.63) SIRT2SIRT1PRKCBPRKCAPRKD3
SCHEMBL27545372 0.70 SIRT2 (0.50) SIRT2SIRT1PRKCBPRKCAPRKD3
SCHEMBL28340162 0.69 TLR9 (0.50) MAPTTLR9MGLLGAA
SCHEMBL10438759 0.69 SIRT2 (0.58) SIRT2SIRT1PRKCBPRKCAPRKD3
SCHEMBL19511338 0.68 TLR9 (0.58) MAPTTLR9ALDH1A1LMNANPSR1
SCHEMBL5329180 0.68 KDR (0.55) SIRT2SIRT1PRKCBPRKCAPRKD3

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
US-6589977-B1 Bisindolylpyrrole derivatives represented by general formula (I) which are useful in inhibiting cell death and expected as being useful as preventives and remedies for the progress of various diseases in the progress and worsening of which cell SAGAMI CHEMICAL RESEARCH CENTER (JP) 2003-07-08 US disclosed
EP-1152002-A1 PYRROLE DERIVATIVES AND CELL DEATH INHIBITORS SAGAMI CHEMICAL RESEARCH CENTER (JP) 2001-11-07 EP disclosed