SCHEMBL289371

SCHEMBL289371

Cc1ccc(-c2ccccc2)c(-c2nc(C)c(C(=O)O)s2)c1

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.67
RAB9A P51151 7/20 0.61
KDM4E B2RXH2 4/20 0.61
GAA P10253 3/20 0.61
ALDH1A1 P00352 7/20 0.53
KMT2A Q03164 5/20 0.52
NPC1 O15118 5/20 0.51
HPGD P15428 2/20 0.51
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.51
MAPT P10636 6/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
XDH P47989 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 2/20 0.46
MEN1 O00255 2/20 0.46
ATM Q13315 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
SCHEMBL290254 0.85 TRPM8 (0.56) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL14804849 0.83 KDM4E (0.63) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL1327631 0.81 SMN1; SMN2 (1.00) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL3434172 0.80 SMN1; SMN2 (0.74) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL3435042 0.78 KDM4E (0.57) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL289112 0.78 SMN1; SMN2 (0.93) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL3367949 0.77 SMN1; SMN2 (0.65) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL3435617 0.77 SMN1; SMN2 (0.69) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL892234 0.76 RAB9A (1.00) SMN1; SMN2RAB9AKDM4EGAAALDH1A1
SCHEMBL3371761 0.76 SMN1; SMN2 (0.63) 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