SCHEMBL8536217

SCHEMBL8536217

O=c1[nH]c(Nc2ccc(Br)cc2)nc2c1ncn2CCCCO

nearest known ligand 0.80

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TK1 P04183 2/20 0.80

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
SCHEMBL1506775 0.89 TK1 (1.00) TK1
SCHEMBL8536032 0.82 MEN1 (0.58) TK1
SCHEMBL8535266 0.81 TK1 (0.85) TK1
SCHEMBL8535784 0.77 TK1 (0.65) TK1
SCHEMBL8145937 0.75 TK1 (0.59) TK1
SCHEMBL8536577 0.74 TK1 (0.61) TK1
SCHEMBL571645 0.74 TK1 (1.00) TK1
SCHEMBL8153955 0.74 TK1 (0.58) TK1
SCHEMBL8175624 0.73 TK1 (0.97) TK1
SCHEMBL8152333 0.73 CTSL (0.61) TK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0794781-A4 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIV MASSACHUSETTS MEDICAL (US) 1998-04-22 EP disclosed
EP-0794781-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-09-17 EP disclosed
WO-1996020711-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-07-11 WO disclosed