SCHEMBL289411

SCHEMBL289411

Cc1nc(-c2ccc(-c3ccc4cc(O)ccc4c3)s2)sc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.53
RAB9A P51151 4/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
POLB P06746 1/20 0.51
ALDH1A1 P00352 2/20 0.47
TARBP2 Q15633 2/20 0.46
KMT2A Q03164 1/20 0.43
XDH P47989 5/20 0.42
ABCC4 O15439 1/20 0.40
ABCB11 O95342 1/20 0.40
PGR P06401 1/20 0.40
CHRM1 P11229 1/20 0.40
PDE4A P27815 1/20 0.40
BLVRB P30043 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
NR1H4 Q96RI1 1/20 0.39
HPGD P15428 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
SCHEMBL289866 0.89 SMN1; SMN2 (0.59) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL290206 0.85 KDM4E (0.55) KDM4EALDH1A1KMT2ANPSR1
SCHEMBL289832 0.81 KDM4E (0.49) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL290134 0.81 KDM4E (0.75) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289635 0.81 KDM4E (0.57) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL290214 0.81 KDM4E (0.54) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289596 0.80 SMN1; SMN2 (0.74) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289964 0.79 SMN1; SMN2 (0.57) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289408 0.79 SMN1; SMN2 (0.72) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL290129 0.78 PPARA (0.53) KDM4ERAB9AGAASMN1; SMN2NPC1

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