SCHEMBL289595

SCHEMBL289595

Cc1nc(-c2ccc(-c3cc4ccccc4s3)cc2)sc1C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.68
RAB9A P51151 5/20 0.62
KDM4E B2RXH2 4/20 0.62
GAA P10253 2/20 0.62
NPC1 O15118 3/20 0.59
POLB P06746 1/20 0.59
ALDH1A1 P00352 6/20 0.54
HPGD P15428 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
APP P05067 2/20 0.51
MAPT P10636 3/20 0.50
KMT2A Q03164 3/20 0.50
TARBP2 Q15633 1/20 0.50
XDH P47989 2/20 0.47
LMNA P02545 1/20 0.47
ATM Q13315 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL290470 0.93 SMN1; SMN2 (0.64) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL289881 0.89 SMN1; SMN2 (0.61) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL290011 0.88 SMN1; SMN2 (0.58) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL289925 0.86 SMN1; SMN2 (0.55) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL290016 0.85 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL290238 0.85 SMN1; SMN2 (0.56) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL290390 0.84 CDC7 (0.61) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL290152 0.82 SMN1; SMN2 (0.53) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL289112 0.82 SMN1; SMN2 (0.93) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL1327631 0.82 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AKDM4EGAANPC1

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