SCHEMBL8858682

SCHEMBL8858682

COC(=O)[C@H]1CC[C@H](NC(=O)c2ccc(-c3nc4c(s3)CN(C(=O)OC(C)(C)C)CC4)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRAMD1A Q96CP6 1/20 0.51
HDAC4 P56524 3/20 0.47
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
HDAC6 Q9UBN7 2/20 0.44
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
GCK P35557 12/20 0.42
FGFR3 P22607 1/20 0.41
KDR P35968 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
SCHEMBL8858785 0.94 HDAC4 (0.49) GRAMD1AHDAC4NPC1RAB9AHDAC6
SCHEMBL8858733 0.93 GRAMD1A (0.51) GRAMD1AHDAC4NPC1RAB9AHDAC6
SCHEMBL8858700 0.89 GRAMD1A (0.47) GRAMD1AHDAC4KDM4EMAPTGCK
SCHEMBL8858740 0.87 HDAC4 (0.49) GRAMD1AHDAC4NPC1RAB9AHDAC6
SCHEMBL8858634 0.85 USP30 (0.49) GRAMD1AHDAC4NPC1RAB9AKDM4E
SCHEMBL8858804 0.82 HDAC4 (0.42) HDAC4NPC1RAB9AHDAC6KDM4E
SCHEMBL8858824 0.82 GRAMD1A (0.47) GRAMD1AHDAC4NPC1RAB9AKDM4E
SCHEMBL8858696 0.81 GRAMD1A (0.55) GRAMD1ANPC1RAB9AKDM4EMAPT
SCHEMBL3666966 0.79 NPC1 (0.54) GRAMD1ANPC1RAB9AKDM4EMAPT
SCHEMBL20792856 0.78 DPP4 (0.53) GRAMD1ANPC1RAB9AKDM4EMAPT

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
US-5607944-A ANTICOAGULANTS KARL THOMAE GMBH (DE) 1997-03-04 US disclosed
EP-0639575-A1 Bicyclic heterocycles, medicaments comprising these compounds and processes for their production Dr. Karl Thomae GmbH (DE) 1995-02-22 EP disclosed