SCHEMBL290151

SCHEMBL290151

Cc1nc(-c2ccc(-c3sc(-c4ccccc4)nc3C)s2)sc1C(=O)O

nearest known ligand 0.74

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.74
RAB9A P51151 7/20 0.59
KDM4E B2RXH2 5/20 0.59
GAA P10253 2/20 0.59
ALDH1A1 P00352 7/20 0.58
MAPT P10636 3/20 0.58
NPC1 O15118 5/20 0.57
HPGD P15428 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
POLB P06746 1/20 0.57
KMT2A Q03164 4/20 0.51
LMNA P02545 2/20 0.51
ATM Q13315 1/20 0.51
CNR1 P21554 1/20 0.51
MEN1 O00255 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
TARBP2 Q15633 1/20 0.48
COMT P21964 1/20 0.48

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
SCHEMBL289554 0.88 SMN1; SMN2 (0.85) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL289596 0.88 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL289408 0.86 SMN1; SMN2 (0.72) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL1327631 0.86 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL290681 0.86 CDC7 (0.61) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL289112 0.83 SMN1; SMN2 (0.93) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL289879 0.79 CYP3A4 (0.62) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL289699 0.79 KDM4E (0.61) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL289772 0.79 SMN1; SMN2 (0.60) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL289866 0.78 SMN1; SMN2 (0.59) 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