SCHEMBL289772

SCHEMBL289772

Cc1nc(-c2ccc(-c3cc(-c4ccccc4)cs3)s2)sc1C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.60
KDM4E B2RXH2 5/20 0.55
ALDH1A1 P00352 7/20 0.49
RAB9A P51151 6/20 0.49
GAA P10253 2/20 0.49
KMT2A Q03164 4/20 0.48
NPC1 O15118 4/20 0.47
HPGD P15428 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 3/20 0.45
XDH P47989 2/20 0.43
CNR1 P21554 1/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL289507 0.87 ALDH1A1 (0.58) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL289408 0.86 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL289596 0.84 SMN1; SMN2 (0.74) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL290238 0.80 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL289894 0.79 ALDH1A1 (0.63) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL289699 0.79 KDM4E (0.61) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL290151 0.79 SMN1; SMN2 (0.74) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL288846 0.78 KDM4E (0.84) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL289866 0.78 SMN1; SMN2 (0.59) SMN1; SMN2KDM4EALDH1A1RAB9AGAA
SCHEMBL290004 0.77 KDM4E (0.54) SMN1; SMN2KDM4EALDH1A1RAB9AGAA

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