SCHEMBL290105

SCHEMBL290105

Cc1ccc2sc(-c3ccc(-c4nc(C)c(C(=O)O)s4)s3)cc2c1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.53
RAB9A P51151 3/20 0.53
GAA P10253 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.42
XDH P47989 3/20 0.42
TARBP2 Q15633 1/20 0.39
CYP2A6 P11509 1/20 0.38
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL289832 0.89 KDM4E (0.49) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289698 0.88 KDM4E (0.48) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL290387 0.87 KDM4E (0.47) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL290238 0.86 SMN1; SMN2 (0.56) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289509 0.85 KDM4E (0.55) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289699 0.80 KDM4E (0.61) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL290134 0.79 KDM4E (0.75) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289881 0.78 SMN1; SMN2 (0.61) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL12712043 0.76 CYP2A6 (0.41) RAB9ASMN1; SMN2NPC1KMT2AALDH1A1
SCHEMBL289408 0.76 SMN1; SMN2 (0.72) 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