SCHEMBL8314810

SCHEMBL8314810

O=C1C=C(c2c[nH]c3cc(F)ccc23)C(=O)O1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 18/20 0.49
CCNE2 O96020 1/20 0.46
CDK4 P11802 1/20 0.46
PRKACA P17612 1/20 0.46
PRKACG P22612 1/20 0.46
PRKACB P22694 1/20 0.46
CCND1 P24385 1/20 0.46
CCNE1 P24864 1/20 0.46
CDK2 P24941 1/20 0.46
IDO1 P14902 1/20 0.44
GPR84 Q9NQS5 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
SCHEMBL5879323 0.80 PTPRC (0.58) CCNE2CDK4PRKACAPRKACGPRKACB
SCHEMBL5879258 0.77 CDK4 (0.49) TDO2CCNE2CDK4PRKACAPRKACG
SCHEMBL28503581 0.76 PTPN1 (0.55) TDO2CCNE2CDK4PRKACAPRKACG
SCHEMBL7862532 0.75 CDK4 (0.67) TDO2CCNE2CDK4PRKACAPRKACG
SCHEMBL8001537 0.73 PTPN1 (0.39)
SCHEMBL9087145 0.72 PRKCB (0.74) CCNE2CDK4PRKACAPRKACGPRKACB
6-Fluoro-3-Phenylindole SCHEMBL3626834 0.71 TDO2 (0.68) TDO2IDO1GPR84
SCHEMBL16990332 0.70 TDO2 (0.59) TDO2IDO1
SCHEMBL5339298 0.70 CDK4 (0.57) TDO2CCNE2CDK4PRKACAPRKACG
SCHEMBL8317402 0.69 SIRT2 (0.63) TDO2CCNE2CDK4PRKACAPRKACG

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 4 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
WO-1993018766-A1 FURTHER INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-30 WO disclosed