SCHEMBL290196

SCHEMBL290196

Cc1nc(N(C)C(=O)c2ccc(-c3cc4ccccc4s3)s2)sc1C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
CASP3 P42574 1/20 0.40
RAB9A P51151 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40
HSD17B1 P14061 13/20 0.40
HSD17B2 P37059 13/20 0.40
BCL2L1 Q07817 1/20 0.39
RPS6KB2 Q9UBS0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
IKBKB O14920 1/20 0.36
CHUK O15111 1/20 0.36
IKBKG Q9Y6K9 1/20 0.36

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
SCHEMBL290528 0.87 NPC1 (0.46) SMN1; SMN2NPC1LMNACASP3RAB9A
SCHEMBL290238 0.77 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ABCL2L1KDM4E
SCHEMBL290195 0.75 NPC1 (0.49) SMN1; SMN2NPC1LMNARAB9ABCL2L1
SCHEMBL6412727 0.75 BCL2L1 (0.64) RAB9AHSD17B1HSD17B2BCL2L1RPS6KB2
SCHEMBL289881 0.74 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ABCL2L1KDM4E
SCHEMBL290152 0.71 SMN1; SMN2 (0.53) SMN1; SMN2NPC1LMNARAB9ABCL2L1
SCHEMBL290016 0.70 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ABCL2L1KDM4E
SCHEMBL289595 0.70 SMN1; SMN2 (0.68) SMN1; SMN2NPC1LMNARAB9AKDM4E
SCHEMBL290470 0.68 SMN1; SMN2 (0.64) SMN1; SMN2NPC1LMNARAB9AHSD17B1
SCHEMBL290000 0.68 SMN1; SMN2 (0.52) SMN1; SMN2NPC1RAB9ABCL2L1KDM4E

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