SCHEMBL290152

SCHEMBL290152

Cc1cc(-c2cc3ccccc3s2)sc1-c1nc(C)c(C(=O)O)s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.53
KDM4E B2RXH2 4/20 0.49
KMT2A Q03164 2/20 0.48
RAB9A P51151 4/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 3/20 0.44
POLB P06746 1/20 0.44
ALDH1A1 P00352 4/20 0.44
BCL2L1 Q07817 1/20 0.41
XDH P47989 1/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
MAPT P10636 2/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL289881 0.87 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL289540 0.85 KDM4E (0.54) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290238 0.85 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL289595 0.82 SMN1; SMN2 (0.68) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290016 0.82 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL288501 0.81 KDM4E (0.71) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290470 0.81 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290000 0.80 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL26500149 0.79 S1PR1 (0.41) CA12CA1CA2CA9STK17B
SCHEMBL290011 0.79 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EKMT2ARAB9AGAA

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