SCHEMBL299236

SCHEMBL299236

CCOC(=O)c1nc(C)c(-c2ccc(Br)s2)s1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.42
NPSR1 Q6W5P4 3/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
POLB P06746 2/20 0.42
PKM P14618 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
CYP1A2 P05177 2/20 0.42
PTGS2 P35354 1/20 0.41
KDM4E B2RXH2 3/20 0.41
DHODH Q02127 1/20 0.41
HTT P42858 1/20 0.40
ALDH1A1 P00352 5/20 0.40
CDC7 O00311 2/20 0.39
DBF4 Q9UBU7 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL289682 0.78 ALDH1A1 (0.61) MAPTNPSR1NPC1RAB9APOLB
SCHEMBL289663 0.77 JAK2 (0.47) MAPTNPSR1NPC1RAB9APTGS2
SCHEMBL6500653 0.76 ALDH1A1 (0.55) MAPTNPSR1NPC1RAB9ACYP1A2
SCHEMBL289847 0.76 KDM4E (0.64) MAPTNPSR1NPC1RAB9AKDM4E
SCHEMBL14380356 0.75 PTGS2 (0.51) MAPTRAB9APOLBPTGS2KDM4E
SCHEMBL9586131 0.75 NPC1 (0.41) MAPTNPSR1NPC1RAB9APOLB
SCHEMBL289991 0.75 ALDH1A1 (0.43) MAPTNPSR1NPC1RAB9APOLB
SCHEMBL14380747 0.74 PTGS2 (0.65) MAPTNPSR1NPC1RAB9APKM
SCHEMBL14485340 0.73 GAA (0.58) MAPTNPSR1NPC1RAB9APOLB
SCHEMBL14485326 0.73 HTT (0.47) MAPTPOLBPTGS2KDM4EHTT

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-2427447-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION Pike Pharma GmbH (CH) 2012-03-14 EP disclosed
WO-2010128163-A2 SMALL MOLECULE INHIBITORS OF INFLUENZA A AND B VIRUS AND RESPIRATORY SYNCYTIAL VIRUS REPLICATION PIKE PHARMA GMBH (CH) 2010-11-11 WO disclosed