SCHEMBL289248

SCHEMBL289248

Cc1nc(-c2ccccc2-c2cccs2)sc1C(=O)O

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.77
SMN1; SMN2 Q16637 5/20 0.58
ALDH1A1 P00352 6/20 0.58
GAA P10253 3/20 0.55
KMT2A Q03164 2/20 0.52
RAB9A P51151 4/20 0.50
POLB P06746 2/20 0.48
NPC1 O15118 2/20 0.48
HTR2C P28335 2/20 0.45
HPGD P15428 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
MEN1 O00255 1/20 0.45
IKBKB O14920 1/20 0.44
MAPT P10636 2/20 0.43

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
SCHEMBL3418775 0.87 KDM4E (1.00) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL288994 0.84 KDM4E (0.80) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL288846 0.82 KDM4E (0.84) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL289704 0.82 KDM4E (0.79) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL3435617 0.80 SMN1; SMN2 (0.69) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL290016 0.79 SMN1; SMN2 (0.56) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL3371496 0.79 SMN1; SMN2 (0.67) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL3436651 0.79 SMN1; SMN2 (0.67) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL288501 0.78 KDM4E (0.71) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A
SCHEMBL289908 0.78 KDM4E (0.76) KDM4ESMN1; SMN2ALDH1A1GAAKMT2A

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