SCHEMBL290004

SCHEMBL290004

Cc1nc(-c2ccc(-c3csc4ccccc34)s2)sc1C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.54
SMN1; SMN2 Q16637 5/20 0.52
KMT2A Q03164 2/20 0.47
RAB9A P51151 4/20 0.45
GAA P10253 3/20 0.45
NPC1 O15118 3/20 0.43
POLB P06746 1/20 0.43
HTR2C P28335 3/20 0.41
ALDH1A1 P00352 5/20 0.41
HPGD P15428 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
NFKB1 P19838 1/20 0.40
HTT P42858 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL289856 0.85 ALDH1A1 (0.58) KDM4ESMN1; SMN2KMT2ARAB9AGAA
SCHEMBL289399 0.81 HTR2C (0.58) KDM4ESMN1; SMN2KMT2ARAB9AGAA
SCHEMBL299795 0.79 SMN1; SMN2 (0.52) KDM4ESMN1; SMN2KMT2ARAB9AGAA
SCHEMBL289596 0.78 SMN1; SMN2 (0.74) KDM4ESMN1; SMN2KMT2ARAB9AGAA
SCHEMBL289772 0.77 SMN1; SMN2 (0.60) KDM4ESMN1; SMN2KMT2ARAB9AGAA
SCHEMBL289408 0.77 SMN1; SMN2 (0.72) KDM4ESMN1; SMN2KMT2ARAB9AGAA
SCHEMBL290238 0.77 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2KMT2ARAB9AGAA
SCHEMBL289862 0.76 APP (0.55) KDM4ESMN1; SMN2KMT2ARAB9AGAA
SCHEMBL289699 0.75 KDM4E (0.61) KDM4ESMN1; SMN2KMT2ARAB9AGAA
SCHEMBL288846 0.75 KDM4E (0.84) KDM4ESMN1; SMN2KMT2ARAB9AGAA

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