SCHEMBL4961972

SCHEMBL4961972

CN(C)C(=O)c1ccc2nc[nH]c2c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.60
RAB9A P51151 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
HTT P42858 3/20 0.59
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.59
HPGD P15428 1/20 0.59
NPC1 O15118 6/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.56
CTDSP1 Q9GZU7 1/20 0.56
CTNNB1 P35222 1/20 0.55
WNT3A P56704 1/20 0.55
HSD11B1 P28845 1/20 0.54
POLB P06746 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL2455635 0.88 CLK4 (0.53) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL17802748 0.88 HDAC6 (0.55) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL30265092 0.88 HDAC6 (0.57) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL3727867 0.87 HDAC6 (0.45) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL1534631 0.85 HDAC6 (0.55) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL3727881 0.85 HDAC6 (0.58) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL1007147 0.83 HDAC6 (0.56) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL30069113 0.83 RAB9A (0.62) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL19994498 0.83 RAB9A (0.62) HDAC6RAB9ASMN1; SMN2HTTKDM4E
SCHEMBL3776194 0.81 HDAC6 (0.66) HDAC6RAB9ASMN1; SMN2HTTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107207493-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-20 CN claimed
CN-116003409-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-04-25 CN disclosed
CN-107207493-B Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-20 CN disclosed
CN-115583947-A Substituted pyrrolopyridines as bromodomain inhibitors 基因泰克公司 2023-01-10 CN disclosed
CN-111386114-A Novel benzimidazoles as selective inhibitors of indoleamine 2, 3-dioxygenase 百济神州有限公司 2020-07-07 CN disclosed
EP-1888579-B1 NOVEL FLUORENE DERIVATIVES, COMPOSITION CONTAINING SAID DERIVATIVES AND THE USE THEREOF AVENTIS PHARMA SA (FR) 2011-08-03 EP disclosed
EP-1904454-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES Nycomed GmbH (DE) 2008-04-02 EP disclosed
WO-2006136552-A2 PROCESS FOR THE PRODUCTION OF INTERMADIATES FOR THE PREPARATION OF TRICYCLIC BENZIMIDAZOLES NYCOMED GMBH (DE) 2006-12-28 WO disclosed
EP-1613626-A1 CYCLIC BENZIMIDAZOLES ALTANA Pharma AG (DE) 2006-01-11 EP disclosed
WO-2004087701-A1 CYCLIC BENZIMIDAZOLES ALTANA PHARMA AG (DE) 2004-10-14 WO disclosed