SCHEMBL290000

SCHEMBL290000

Cc1nc(-c2ccc(-c3cc4ccccc4s3)o2)sc1C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
KDM4E B2RXH2 5/20 0.48
KMT2A Q03164 1/20 0.47
RAB9A P51151 4/20 0.45
GAA P10253 2/20 0.45
NPC1 O15118 3/20 0.43
ATM Q13315 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 4/20 0.43
IKBKB O14920 1/20 0.41
XDH P47989 1/20 0.41
HPGD P15428 3/20 0.40
BCL2L1 Q07817 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MAPT P10636 1/20 0.39
TSHR P16473 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL289881 0.86 SMN1; SMN2 (0.61) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290095 0.85 KDM4E (0.53) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL289595 0.81 SMN1; SMN2 (0.68) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290238 0.81 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290016 0.81 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290152 0.80 SMN1; SMN2 (0.53) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290470 0.80 SMN1; SMN2 (0.64) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL290011 0.78 SMN1; SMN2 (0.58) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL289925 0.76 SMN1; SMN2 (0.55) SMN1; SMN2KDM4EKMT2ARAB9AGAA
SCHEMBL3828069 0.75 LMNA (0.51) SMN1; SMN2KDM4EKMT2AGAAALDH1A1

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