SCHEMBL290201

SCHEMBL290201

Cc1ccsc1-c1ccc(-c2nc(C)c(C(=O)O)s2)s1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.60
SMN1; SMN2 Q16637 3/20 0.51
RAB9A P51151 3/20 0.50
GAA P10253 2/20 0.50
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
KMT2A Q03164 1/20 0.46
ALDH1A1 P00352 5/20 0.45
TARBP2 Q15633 1/20 0.41
HPGD P15428 2/20 0.40
TSHR P16473 1/20 0.40
XDH P47989 2/20 0.39
NPSR1 Q6W5P4 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
SCHEMBL290093 0.84 ALDH1A1 (0.65) KDM4ESMN1; SMN2RAB9ANPC1POLB
SCHEMBL289699 0.80 KDM4E (0.61) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL288846 0.80 KDM4E (0.84) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL290151 0.77 SMN1; SMN2 (0.74) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289596 0.77 SMN1; SMN2 (0.74) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL10049084 0.76 KDM4E (0.58) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL290134 0.76 KDM4E (0.75) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL289408 0.76 SMN1; SMN2 (0.72) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL290214 0.76 KDM4E (0.54) KDM4ESMN1; SMN2RAB9AGAANPC1
SCHEMBL3418775 0.76 KDM4E (1.00) KDM4ESMN1; SMN2RAB9AGAANPC1

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