SCHEMBL290011

SCHEMBL290011

Cc1nc(-c2cncc(-c3cc4ccccc4s3)c2)sc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.58
KDM4E B2RXH2 4/20 0.50
RAB9A P51151 4/20 0.50
GAA P10253 2/20 0.50
NPC1 O15118 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 2/20 0.46
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
LMNA P02545 2/20 0.44
XDH P47989 1/20 0.44
CYP2C19 P33261 1/20 0.44
MAPT P10636 2/20 0.43
TARBP2 Q15633 1/20 0.41
ATM Q13315 1/20 0.41
APP P05067 1/20 0.41
TBK1 Q9UHD2 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
SCHEMBL290470 0.88 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL289595 0.88 SMN1; SMN2 (0.68) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL290427 0.86 CDC7 (0.57) SMN1; SMN2KDM4ERAB9ANPC1ALDH1A1
SCHEMBL289881 0.85 SMN1; SMN2 (0.61) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL289925 0.82 SMN1; SMN2 (0.55) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL290016 0.81 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL290238 0.81 SMN1; SMN2 (0.56) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL290152 0.79 SMN1; SMN2 (0.53) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL290000 0.78 SMN1; SMN2 (0.52) SMN1; SMN2KDM4ERAB9AGAANPC1
SCHEMBL1327631 0.75 SMN1; SMN2 (1.00) 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