SCHEMBL289554

SCHEMBL289554

Cc1nc(-c2sc(-c3ccccc3)nc2C)sc1C(=O)O

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.85
RAB9A P51151 6/20 0.68
KDM4E B2RXH2 4/20 0.68
GAA P10253 2/20 0.68
ALDH1A1 P00352 6/20 0.64
NPC1 O15118 4/20 0.64
HPGD P15428 2/20 0.64
NPSR1 Q6W5P4 1/20 0.64
POLB P06746 1/20 0.64
MAPT P10636 4/20 0.61
KMT2A Q03164 4/20 0.57
LMNA P02545 1/20 0.57
ATM Q13315 1/20 0.57
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
CNR1 P21554 1/20 0.53
TARBP2 Q15633 1/20 0.53
TDP1 Q9NUW8 1/20 0.52

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 0.92 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL289112 0.89 SMN1; SMN2 (0.93) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL290151 0.88 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL8345831 0.87 RAB9A (0.86) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL290013 0.84 CDC7 (0.68) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL892234 0.81 RAB9A (1.00) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL851866 0.81 SMN1; SMN2 (0.78) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL8867115 0.81 SMN1; SMN2 (0.77) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL892990 0.80 SMN1; SMN2 (0.76) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL4243016 0.80 SMN1; SMN2 (0.76) SMN1; SMN2RAB9AKDM4EGAAALDH1A1

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