SCHEMBL8539832

SCHEMBL8539832

CC(=O)OCCCCn1cnc2c(Cl)nc(Nc3ccccc3)nc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TK1 P04183 1/20 0.46
HDAC1 Q13547 4/20 0.42
HDAC2 Q92769 4/20 0.42
HDAC8 Q9BY41 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
YTHDC1 Q96MU7 1/20 0.41
CNR2 P34972 1/20 0.41

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
SCHEMBL8537871 0.93 HDAC1 (0.42) TK1HDAC1HDAC2HDAC8HDAC6
SCHEMBL6523725 0.85 KDM4E (0.48) TK1HDAC1HDAC2HDAC8HDAC6
SCHEMBL5801330 0.85 HDAC3 (0.40) HDAC1HDAC2HDAC8HDAC6HDAC3
SCHEMBL19553815 0.82 CNR2 (0.42) TK1HDAC1HDAC2HDAC8HDAC6
SCHEMBL8157896 0.80 CTSL (0.51)
SCHEMBL19553607 0.80 CNR2 (0.40) TK1HDAC1HDAC2HDAC8HDAC6
SCHEMBL19553602 0.80 HSP90AB1 (0.47) HDAC1HDAC6HDAC4
SCHEMBL8539778 0.80 CDK1 (0.49)
SCHEMBL8538543 0.79 HDAC1 (0.52) HDAC1HDAC2HDAC8HDAC6YTHDC1
SCHEMBL19553675 0.76 CNR2 (0.37) TK1HDAC1HDAC2HDAC8HDAC6

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-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
US-5646155-A ADMINISTERING A 9-SUBSTITUTED-N2-PHENYLGUANINE DERIVATIVE UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1997-07-08 US disclosed
WO-1996020711-A1 DRUGS TO PREVENT RECURRENT HERPES VIRUS INFECTIONS UNIVERSITY OF MASSACHUSETTS MEDICAL CENTER (US) 1996-07-11 WO disclosed