SCHEMBL289529

SCHEMBL289529

Cc1nc(-c2ccc(OS(=O)(=O)C(F)(F)F)cc2)sc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.62
KDM4E B2RXH2 3/20 0.62
GAA P10253 2/20 0.62
SMN1; SMN2 Q16637 3/20 0.59
TARBP2 Q15633 1/20 0.59
NPC1 O15118 2/20 0.59
POLB P06746 1/20 0.59
ALDH1A1 P00352 3/20 0.54
PPARA Q07869 7/20 0.47
PPARD Q03181 3/20 0.47
XDH P47989 2/20 0.47
PPARG P37231 1/20 0.46
HPGD P15428 1/20 0.46
NPSR1 Q6W5P4 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
SCHEMBL299586 0.87 CDC7 (0.61) KDM4ETARBP2ALDH1A1PPARAPPARD
SCHEMBL8341061 0.84 RAB9A (0.65) RAB9AKDM4EGAASMN1; SMN2TARBP2
SCHEMBL3419091 0.82 RAB9A (0.74) RAB9AKDM4EGAASMN1; SMN2TARBP2
SCHEMBL981341 0.80 SMN1; SMN2 (0.71) RAB9AKDM4EGAASMN1; SMN2TARBP2
SCHEMBL3436647 0.78 RAB9A (0.77) RAB9AKDM4EGAASMN1; SMN2TARBP2
SCHEMBL8867103 0.77 TARBP2 (0.70) RAB9AKDM4EGAASMN1; SMN2TARBP2
SCHEMBL892234 0.77 RAB9A (1.00) RAB9AKDM4EGAASMN1; SMN2TARBP2
SCHEMBL8339610 0.77 TARBP2 (0.66) RAB9AKDM4EGAASMN1; SMN2TARBP2
SCHEMBL8867803 0.76 TARBP2 (0.73) RAB9AKDM4EGAASMN1; SMN2TARBP2
SCHEMBL8867051 0.76 RAB9A (0.79) RAB9AKDM4EGAASMN1; SMN2TARBP2

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