SCHEMBL289399

SCHEMBL289399

Cc1nc(-c2ccc(-c3cccc4ccccc34)s2)sc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 13/20 0.58
SMN1; SMN2 Q16637 2/20 0.56
KDM4E B2RXH2 5/20 0.54
KMT2A Q03164 1/20 0.50
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.46
POLB P06746 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
SCHEMBL299795 0.86 SMN1; SMN2 (0.52) HTR2CSMN1; SMN2KDM4EKMT2ARAB9A
SCHEMBL289396 0.84 KDM4E (0.59) HTR2CKDM4EKMT2ARAB9AGAA
SCHEMBL289596 0.84 SMN1; SMN2 (0.74) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL289408 0.82 SMN1; SMN2 (0.72) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290004 0.81 KDM4E (0.54) HTR2CSMN1; SMN2KDM4EKMT2ARAB9A
SCHEMBL289862 0.81 APP (0.55) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL289699 0.78 KDM4E (0.61) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290136 0.77 SMN1; SMN2 (0.50) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290238 0.77 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL289866 0.77 SMN1; SMN2 (0.59) 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