SCHEMBL299617

SCHEMBL299617

Cc1nc(-c2ccc(-c3ccc4c(c3)OCO4)s2)sc1C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
RAB9A P51151 5/20 0.50
GAA P10253 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
NPC1 O15118 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 3/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
TGFBR1 P36897 1/20 0.44
RXFP1 Q9HBX9 1/20 0.43
CTNNB1 P35222 1/20 0.42
TNFRSF1A P19438 1/20 0.42
HSD17B10 Q99714 1/20 0.41
TARBP2 Q15633 1/20 0.41
TP53 P04637 1/20 0.41
DHODH Q02127 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
SCHEMBL299623 0.86 KDM4E (0.52) KDM4ERAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL290134 0.79 KDM4E (0.75) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289866 0.78 SMN1; SMN2 (0.59) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289411 0.77 KDM4E (0.53) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289596 0.77 SMN1; SMN2 (0.74) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289408 0.76 SMN1; SMN2 (0.72) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL290214 0.75 KDM4E (0.54) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289635 0.75 KDM4E (0.57) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL3748204 0.74 HDAC6 (0.60) KDM4ERAB9AGAASMN1; SMN2NPC1
SCHEMBL289880 0.74 SMN1; SMN2 (0.54) 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