SCHEMBL289408

SCHEMBL289408

Cc1nc(-c2ccc(-c3ccc(-c4ccccc4)s3)s2)sc1C(=O)O

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 8/20 0.72
KDM4E B2RXH2 4/20 0.61
RAB9A P51151 6/20 0.57
GAA P10253 2/20 0.57
ALDH1A1 P00352 6/20 0.56
KMT2A Q03164 4/20 0.56
NPC1 O15118 4/20 0.55
HPGD P15428 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 3/20 0.52
CNR1 P21554 1/20 0.49
LMNA P02545 1/20 0.49
ATM Q13315 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
MEN1 O00255 1/20 0.48
XDH P47989 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
SCHEMBL289596 0.98 SMN1; SMN2 (0.74) SMN1; SMN2KDM4ERAB9AGAAALDH1A1
SCHEMBL290134 0.88 KDM4E (0.75) SMN1; SMN2KDM4ERAB9AGAAALDH1A1
SCHEMBL289699 0.86 KDM4E (0.61) SMN1; SMN2KDM4ERAB9AGAAALDH1A1
SCHEMBL289879 0.86 CYP3A4 (0.62) SMN1; SMN2KDM4ERAB9AGAAALDH1A1
SCHEMBL290151 0.86 SMN1; SMN2 (0.74) SMN1; SMN2KDM4ERAB9AGAAALDH1A1
SCHEMBL289964 0.86 SMN1; SMN2 (0.57) SMN1; SMN2KDM4ERAB9AGAAALDH1A1
SCHEMBL289772 0.86 SMN1; SMN2 (0.60) SMN1; SMN2KDM4ERAB9AGAAALDH1A1
SCHEMBL289866 0.85 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ERAB9AGAAALDH1A1
SCHEMBL289978 0.85 SMN1; SMN2 (0.82) SMN1; SMN2KDM4ERAB9AGAAALDH1A1
SCHEMBL289635 0.85 KDM4E (0.57) SMN1; SMN2KDM4ERAB9AGAAALDH1A1

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