SCHEMBL8618199

SCHEMBL8618199

C[C@@H](CCn1cnc2c(Cl)nc(N)nc21)COCc1ccccc1[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 17/20 0.38
HSP90AA1 P07900 16/20 0.38
HDAC1 Q13547 2/20 0.35
HDAC2 Q92769 1/20 0.35
HSP90B1 P14625 1/20 0.34
TRAP1 Q12931 1/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC4 P56524 1/20 0.34

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
SCHEMBL8542896 1.00 HSP90AB1 (0.38) HSP90AB1HSP90AA1HDAC1HDAC2HSP90B1
SCHEMBL6940477 0.75 HSP90AB1 (0.38) HSP90AB1HSP90AA1HDAC1HDAC2HDAC6
SCHEMBL5962141 0.75 HSP90AB1 (0.38) HSP90AB1HSP90AA1HDAC1HDAC2HDAC6
SCHEMBL10510295 0.73 HDAC1 (0.44) HSP90AB1HSP90AA1HDAC1HDAC2HDAC6
SCHEMBL1663919 0.72 HDAC1 (0.43) HSP90AB1HSP90AA1HDAC1HDAC2HDAC6
SCHEMBL1663801 0.72 HDAC1 (0.43) HSP90AB1HSP90AA1HDAC1HDAC2HDAC6
SCHEMBL1663924 0.72 HDAC1 (0.43) HSP90AB1HSP90AA1HDAC1HDAC2HDAC6
SCHEMBL28434898 0.71 KDM4E (0.54) HSP90AB1HSP90AA1HDAC1HSP90B1TRAP1
SCHEMBL16039115 0.67 HSP90AA1 (0.39) HSP90AB1HSP90AA1HDAC1HDAC2HDAC6
SCHEMBL3856260 0.67 HSP90AB1 (0.40) HSP90AB1HSP90AA1HDAC1HDAC2HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0822817-A1 USE OF (R)-PENCICLOVIR TRIPHOSPHATE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF VIRAL DISEASES SMITHKLINE BEECHAM PLC (GB) 1998-02-11 EP disclosed
WO-1996033720-A1 USE OF (R)-PENCICLOVIR TRIPHOSPHATE FOR THE MANUFACTURE OF A MEDICAMENT FOR THE TREATMENT OF VIRAL DISEASES SMITHKLINE BEECHAM PLC (GB) 1996-10-31 WO disclosed