SCHEMBL290129

SCHEMBL290129

Cc1nc(-c2ccc(-c3ccc(OC(F)(F)F)cc3)s2)sc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 10/20 0.53
PPARD Q03181 4/20 0.53
KDM4E B2RXH2 4/20 0.51
RAB9A P51151 3/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
ALDH1A1 P00352 1/20 0.51
TARBP2 Q15633 1/20 0.50
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
PPARG P37231 2/20 0.44
KMT2A Q03164 1/20 0.41

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
SCHEMBL8341061 0.89 RAB9A (0.65) PPARAPPARDKDM4ERAB9AGAA
SCHEMBL289893 0.87 KDM4E (0.55) PPARAPPARDKDM4ERAB9ASMN1; SMN2
SCHEMBL289635 0.86 KDM4E (0.57) PPARAKDM4ERAB9AGAASMN1; SMN2
SCHEMBL290134 0.82 KDM4E (0.75) KDM4ERAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL289596 0.81 SMN1; SMN2 (0.74) KDM4ERAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL289964 0.80 SMN1; SMN2 (0.57) KDM4ERAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL289408 0.79 SMN1; SMN2 (0.72) KDM4ERAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL290136 0.79 SMN1; SMN2 (0.50) PPARAPPARDKDM4ERAB9AGAA
SCHEMBL289866 0.79 SMN1; SMN2 (0.59) KDM4ERAB9AGAASMN1; SMN2ALDH1A1
SCHEMBL289978 0.79 SMN1; SMN2 (0.82) PPARAPPARDKDM4ERAB9AGAA

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