SCHEMBL289964

SCHEMBL289964

COc1cccc(-c2ccc(-c3nc(C)c(C(=O)O)s3)s2)c1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
ALDH1A1 P00352 2/20 0.55
KDM4E B2RXH2 4/20 0.52
HDAC6 Q9UBN7 1/20 0.51
PTPN1 P18031 1/20 0.50
RAB9A P51151 2/20 0.49
GAA P10253 1/20 0.49
HSD17B2 P37059 6/20 0.47
HSD17B1 P14061 4/20 0.47
PIN1 Q13526 1/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
MAPT P10636 1/20 0.46
TARBP2 Q15633 1/20 0.46
ROCK1 Q13464 1/20 0.45
KMT2A Q03164 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
SCHEMBL289635 0.87 KDM4E (0.57) SMN1; SMN2ALDH1A1KDM4EPTPN1RAB9A
SCHEMBL289596 0.87 SMN1; SMN2 (0.74) SMN1; SMN2ALDH1A1KDM4ERAB9AGAA
SCHEMBL290050 0.86 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KDM4EHDAC6RAB9A
SCHEMBL289408 0.86 SMN1; SMN2 (0.72) SMN1; SMN2ALDH1A1KDM4ERAB9AGAA
SCHEMBL289866 0.82 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1KDM4ERAB9AGAA
SCHEMBL289978 0.82 SMN1; SMN2 (0.82) SMN1; SMN2ALDH1A1KDM4ERAB9AGAA
SCHEMBL290134 0.80 KDM4E (0.75) SMN1; SMN2ALDH1A1KDM4ERAB9AGAA
SCHEMBL8869006 0.80 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1KDM4EHDAC6RAB9A
SCHEMBL290129 0.80 PPARA (0.53) SMN1; SMN2ALDH1A1KDM4ERAB9AGAA
SCHEMBL290399 0.80 KDM4E (0.48) SMN1; SMN2ALDH1A1KDM4ERAB9AGAA

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