SCHEMBL289635

SCHEMBL289635

COc1ccc(-c2ccc(-c3nc(C)c(C(=O)O)s3)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.57
RAB9A P51151 3/20 0.57
GAA P10253 2/20 0.57
TARBP2 Q15633 1/20 0.55
SMN1; SMN2 Q16637 5/20 0.55
NPC1 O15118 2/20 0.55
POLB P06746 1/20 0.55
APP P05067 5/20 0.54
MAPT P10636 4/20 0.50
ALDH1A1 P00352 3/20 0.50
GLA P06280 1/20 0.50
HPGD P15428 1/20 0.50
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LMNA P02545 1/20 0.46
PPARA Q07869 1/20 0.46
PTPN1 P18031 1/20 0.45

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
SCHEMBL290403 0.89 APP (0.55) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL290134 0.87 KDM4E (0.75) KDM4ERAB9AGAATARBP2SMN1; SMN2
SCHEMBL289964 0.87 SMN1; SMN2 (0.57) KDM4ERAB9AGAATARBP2SMN1; SMN2
SCHEMBL3419091 0.87 RAB9A (0.74) KDM4ERAB9AGAATARBP2SMN1; SMN2
SCHEMBL290129 0.86 PPARA (0.53) KDM4ERAB9AGAATARBP2SMN1; SMN2
SCHEMBL289596 0.86 SMN1; SMN2 (0.74) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL290306 0.85 ALDH1A1 (0.59) KDM4ERAB9AGAATARBP2SMN1; SMN2
SCHEMBL289408 0.85 SMN1; SMN2 (0.72) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289866 0.82 SMN1; SMN2 (0.59) KDM4ERAB9AGAATARBP2SMN1; SMN2
SCHEMBL290399 0.81 KDM4E (0.48) KDM4ERAB9AGAATARBP2SMN1; SMN2

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