SCHEMBL8313138

SCHEMBL8313138

O=C1C(c2c[nH]c3ccccc23)=C(c2c[nH]c3ccccc23)C(=O)N1CC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 4/20 0.59
SIRT1 Q96EB6 1/20 0.55
PRKCB P05771 2/20 0.51
CYP1B1 Q16678 3/20 0.48
PRKACA P17612 3/20 0.48
PRKACG P22612 3/20 0.48
PRKACB P22694 3/20 0.48
CAMK2D Q13557 3/20 0.48
PIM1 P11309 3/20 0.48
PRKD3 O94806 1/20 0.48
CCNB2 O95067 1/20 0.48
CCNE2 O96020 1/20 0.48
ABL1 P00519 1/20 0.48
PRKCG P05129 1/20 0.48
CDK1 P06493 1/20 0.48
CDK4 P11802 1/20 0.48
CCNB1 P14635 1/20 0.48
PRKCA P17252 1/20 0.48
CCND1 P24385 1/20 0.48
PRKCH P24723 1/20 0.48

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
SCHEMBL9376063 0.79 PRKACA (0.68) SIRT2SIRT1PRKCBPRKACAPRKACG
SCHEMBL14560481 0.76 SIRT2 (0.69) SIRT2SIRT1PRKCBPRKACAPRKACG
SCHEMBL28006399 0.75 SIRT2 (0.52) SIRT2SIRT1PRKCBPRKACAPRKACG
SCHEMBL7193605 0.74 SIRT2 (1.00) SIRT2SIRT1PRKCBPRKACAPRKACG
SCHEMBL30657539 0.74 CYP1B1 (0.62) CYP1B1
SCHEMBL8247166 0.74 CYP1B1 (0.62) CYP1B1
SCHEMBL8478365 0.72 SIRT2 (0.63) SIRT2SIRT1PRKCBPRKACAPRKACG
SCHEMBL14560480 0.72 SIRT2 (0.67) SIRT2SIRT1PRKCBPRKACAPRKACG
SCHEMBL8318323 0.72 NQO1 (0.59) PRKCBCYP1B1PRKACAPRKACGPRKACB
SCHEMBL30958473 0.71 SIRT2 (1.00) SIRT2SIRT1PRKCBPRKACAPRKACG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630242-B1 FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY WELLCOME FOUND (GB) 1999-01-20 EP disclosed
US-5547976-A VIRICIDES, HERPES VIRUS, CYTOMEGALOVIRUS; CARDIOVASCULAR DISORDERS BURROUGHS WELLCOME CO. (US) 1996-08-20 US disclosed
EP-0630242-A1 FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP disclosed
EP-0630241-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP disclosed
WO-1993018765-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-30 WO disclosed
WO-1993018766-A1 FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-30 WO disclosed