SCHEMBL290016

SCHEMBL290016

Cc1nc(-c2ccccc2-c2cc3ccccc3s2)sc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.56
KDM4E B2RXH2 4/20 0.51
KMT2A Q03164 1/20 0.50
RAB9A P51151 4/20 0.48
GAA P10253 2/20 0.48
HTR2C P28335 6/20 0.46
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 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
XDH P47989 1/20 0.43
MAPT P10636 2/20 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

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 0.89 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290238 0.85 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL289595 0.85 SMN1; SMN2 (0.68) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290020 0.84 KDM4E (0.56) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290152 0.82 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290470 0.82 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290000 0.81 SMN1; SMN2 (0.52) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290011 0.81 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL289248 0.79 KDM4E (0.77) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL289925 0.79 SMN1; SMN2 (0.55) 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