SCHEMBL8317402

SCHEMBL8317402

CN1C(=O)C(c2c[nH]c3cc(F)ccc23)=C(c2c[nH]c3cc(F)ccc23)C1=O

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.63
SIRT1 Q96EB6 1/20 0.63
CCNE2 O96020 1/20 0.56
CDK4 P11802 1/20 0.56
PRKACA P17612 1/20 0.56
PRKACG P22612 1/20 0.56
PRKACB P22694 1/20 0.56
CCND1 P24385 1/20 0.56
CCNE1 P24864 1/20 0.56
CDK2 P24941 1/20 0.56
TDO2 P48775 17/20 0.56
HTR6 P50406 1/20 0.50

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
SCHEMBL5339752 0.90 SIRT2 (0.52) SIRT2SIRT1CCNE2CDK4PRKACA
SCHEMBL7195501 0.88 SIRT2 (0.63) SIRT2SIRT1CCNE2CDK4PRKACA
SCHEMBL14440430 0.88 SIRT2 (0.63) SIRT2SIRT1CCNE2CDK4PRKACA
SCHEMBL5334873 0.82 SIRT2 (0.50) SIRT2SIRT1CCNE2CDK4PRKACA
SCHEMBL29596117 0.82 SIRT2 (0.63) SIRT2SIRT1CDK4CCND1
SCHEMBL20624179 0.82 SIRT2 (0.63) SIRT2SIRT1CDK4CCND1
SCHEMBL20624204 0.82 SIRT2 (0.63) SIRT2SIRT1CCNE2CDK4PRKACA
SCHEMBL7862532 0.80 CDK4 (0.67) SIRT2CCNE2CDK4PRKACAPRKACG
SCHEMBL7101072 0.79 CDK4 (0.70) SIRT2SIRT1CDK4CCND1HTR6
SCHEMBL5333444 0.79 SIRT2 (0.52) SIRT2SIRT1CCNE2CDK4PRKACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0630241-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP claimed
WO-1993018765-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-30 WO claimed
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-0630241-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP disclosed
EP-0630242-A1 FURTHER 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