SCHEMBL289866

SCHEMBL289866

Cc1nc(-c2ccc(-c3ccc4ccccc4c3)s2)sc1C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.59
KDM4E B2RXH2 4/20 0.55
RAB9A P51151 4/20 0.55
GAA P10253 2/20 0.55
NPC1 O15118 2/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 2/20 0.50
TARBP2 Q15633 1/20 0.47
HPGD P15428 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
XDH P47989 4/20 0.45
MAPT P10636 3/20 0.44
CTRC Q99895 1/20 0.43
CNR1 P21554 1/20 0.42
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL289411 0.89 KDM4E (0.53) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL289596 0.86 SMN1; SMN2 (0.74) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL289852 0.85 SMN1; SMN2 (0.73) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL289408 0.85 SMN1; SMN2 (0.72) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL290104 0.84 KDM4E (0.59) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL289964 0.82 SMN1; SMN2 (0.57) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL290134 0.82 KDM4E (0.75) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL289635 0.82 KDM4E (0.57) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL290214 0.81 KDM4E (0.54) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL290238 0.80 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ERAB9AGAANPC1

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