SCHEMBL298147

SCHEMBL298147

CCOC(=O)c1sc(NC(=O)c2ccc(Br)s2)nc1C

nearest known ligand 0.75

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 11/20 0.75
ALDH1A1 P00352 8/20 0.75
NPC1 O15118 7/20 0.71
RAB9A P51151 6/20 0.71
HPGD P15428 4/20 0.71
TP53 P04637 3/20 0.67
HTT P42858 2/20 0.67
POLB P06746 1/20 0.67
KDM4E B2RXH2 6/20 0.64
RXFP1 Q9HBX9 3/20 0.63
NPSR1 Q6W5P4 3/20 0.63
TSHR P16473 2/20 0.61
HSP90AA1 P07900 1/20 0.61
LMNA P02545 3/20 0.59
MAPT P10636 2/20 0.59
DHODH Q02127 1/20 0.59
GAA P10253 1/20 0.57

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
SCHEMBL289683 0.83 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL3584407 0.79 SMN1; SMN2 (0.80) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL3582251 0.78 SMN1; SMN2 (1.00) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL289628 0.78 SMN1; SMN2 (0.63) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL2208204 0.76 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL7939133 0.76 ALDH1A1 (0.72) SMN1; SMN2ALDH1A1NPC1HPGDHTT
SCHEMBL16607174 0.75 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL14877171 0.75 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL31558296 0.75 ALDH1A1 (0.75) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD
SCHEMBL8555317 0.75 ALDH1A1 (0.76) SMN1; SMN2ALDH1A1NPC1RAB9AHPGD

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