SCHEMBL289852

SCHEMBL289852

Cc1nc(-c2ccc(-c3ccc4ccccc4c3)cc2)sc1C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.73
RAB9A P51151 7/20 0.67
KDM4E B2RXH2 4/20 0.67
GAA P10253 2/20 0.67
NPC1 O15118 4/20 0.63
POLB P06746 1/20 0.63
TARBP2 Q15633 1/20 0.56
ALDH1A1 P00352 6/20 0.56
HPGD P15428 2/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAPT P10636 3/20 0.53
KMT2A Q03164 3/20 0.53
XDH P47989 3/20 0.50
LMNA P02545 1/20 0.50
ATM Q13315 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.49
MEN1 O00255 1/20 0.49

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
SCHEMBL289112 0.88 SMN1; SMN2 (0.93) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL289866 0.85 SMN1; SMN2 (0.59) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL1327631 0.85 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL289996 0.83 CDC7 (0.65) SMN1; SMN2RAB9AKDM4ENPC1ALDH1A1
SCHEMBL15654642 0.83 KMT2A (0.64) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL892234 0.81 RAB9A (1.00) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL289595 0.80 SMN1; SMN2 (0.68) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL8867115 0.80 SMN1; SMN2 (0.77) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL3419091 0.80 RAB9A (0.74) SMN1; SMN2RAB9AKDM4EGAANPC1
SCHEMBL14109145 0.80 SMN1; SMN2 (0.58) 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