SCHEMBL8535480

SCHEMBL8535480

CC(=O)OCCn1cnc2c(=O)[nH]c(Nc3cccc(C(F)(F)F)c3)nc21

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.52
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
HTT P42858 1/20 0.46

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
SCHEMBL8536493 0.87 TK1 (0.45) TK1MEN1TSHRKMT2AHTT
SCHEMBL8536600 0.86 TK1 (0.63) TK1
SCHEMBL8537887 0.86 TK1 (0.68) TK1MEN1TSHRKMT2A
SCHEMBL8539778 0.82 CDK1 (0.49)
SCHEMBL8536032 0.81 MEN1 (0.58) TK1MEN1TSHRKMT2A
SCHEMBL8542079 0.80 TK1 (0.52) TK1HTT
SCHEMBL8535266 0.71 TK1 (0.85) TK1
SCHEMBL7813656 0.71 MEN1 (0.74) TK1MEN1TSHRKMT2A
Bromide SCHEMBL7816191 0.70 MEN1 (0.73) TK1MEN1TSHRKMT2A
SCHEMBL16029645 0.69 ADORA2A (0.72) KMT2AHTT

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