SCHEMBL290134

SCHEMBL290134

Cc1ccc(-c2ccc(-c3nc(C)c(C(=O)O)s3)s2)cc1

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.75
RAB9A P51151 4/20 0.75
GAA P10253 2/20 0.75
SMN1; SMN2 Q16637 5/20 0.59
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.58
ALDH1A1 P00352 6/20 0.50
TARBP2 Q15633 1/20 0.49
KMT2A Q03164 2/20 0.49
XDH P47989 3/20 0.46
MAPT P10636 3/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
HPGD P15428 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TSHR P16473 1/20 0.42

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
SCHEMBL289596 0.90 SMN1; SMN2 (0.74) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289408 0.88 SMN1; SMN2 (0.72) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289635 0.87 KDM4E (0.57) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL892234 0.86 RAB9A (1.00) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289699 0.83 KDM4E (0.61) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL290675 0.82 KDM4E (0.62) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289866 0.82 SMN1; SMN2 (0.59) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL290129 0.82 PPARA (0.53) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289411 0.81 KDM4E (0.53) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289879 0.81 CYP3A4 (0.62) 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