SCHEMBL290238

SCHEMBL290238

Cc1nc(-c2ccc(-c3cc4ccccc4s3)s2)sc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.56
KDM4E B2RXH2 5/20 0.54
KMT2A Q03164 1/20 0.50
RAB9A P51151 3/20 0.48
GAA P10253 2/20 0.48
NPC1 O15118 2/20 0.46
POLB P06746 1/20 0.46
ALDH1A1 P00352 4/20 0.45
BCL2L1 Q07817 1/20 0.43
HPGD P15428 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
XDH P47989 2/20 0.43
MAPT P10636 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA4 P22748 1/20 0.40
CA5A P35218 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40

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 0.92 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL2787018 0.88 SMN1; SMN2 (0.41) SMN1; SMN2KDM4EKMT2AGAANPC1
SCHEMBL290105 0.86 KDM4E (0.53) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL289832 0.85 KDM4E (0.49) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290152 0.85 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL289595 0.85 SMN1; SMN2 (0.68) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290016 0.85 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL288852 0.84 KDM4E (0.59) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL289698 0.84 KDM4E (0.48) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL289905 0.83 HPGD (0.60) 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