SCHEMBL289112

SCHEMBL289112

Cc1nc(-c2ccc(-c3ccccc3)cc2)sc1C(=O)O

nearest known ligand 0.93

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.93
RAB9A P51151 6/20 0.79
KDM4E B2RXH2 4/20 0.79
GAA P10253 2/20 0.79
NPC1 O15118 4/20 0.74
POLB P06746 1/20 0.74
ALDH1A1 P00352 6/20 0.69
HPGD P15428 2/20 0.69
NPSR1 Q6W5P4 1/20 0.69
MAPT P10636 3/20 0.66
KMT2A Q03164 4/20 0.61
LMNA P02545 1/20 0.61
ATM Q13315 1/20 0.61
TARBP2 Q15633 1/20 0.60
MEN1 O00255 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CNR1 P21554 1/20 0.57
XDH P47989 1/20 0.56

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
SCHEMBL1327631 0.97 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL289554 0.89 SMN1; SMN2 (0.85) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL15656341 0.89 SMN1; SMN2 (0.73) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL15657407 0.89 SMN1; SMN2 (0.73) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL289852 0.88 SMN1; SMN2 (0.73) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL892234 0.88 RAB9A (1.00) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL8867115 0.88 SMN1; SMN2 (0.77) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL8867051 0.87 RAB9A (0.79) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL2011167 0.87 RAB9A (0.79) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL8339818 0.85 RAB9A (0.77) 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