SCHEMBL289582

SCHEMBL289582

CCOC(=O)c1sc(-c2ccc(-c3cc4ccccc4o3)s2)nc1C

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.57
KDM4E B2RXH2 5/20 0.57
MAPT P10636 4/20 0.57
NPC1 O15118 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
ALDH1A1 P00352 3/20 0.56
LMNA P02545 1/20 0.52
CASP3 P42574 2/20 0.51
TP53 P04637 2/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51
SENP6 Q9GZR1 1/20 0.51
CDC7 O00311 2/20 0.49
DBF4 Q9UBU7 2/20 0.49
DHODH Q02127 1/20 0.46
JAK2 O60674 1/20 0.46
JAK3 P52333 1/20 0.46
HPGD P15428 2/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
HSP90AA1 P07900 2/20 0.42

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
SCHEMBL289610 0.80 ALDH1A1 (0.60) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL289156 0.79 ALDH1A1 (0.65) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL290104 0.79 KDM4E (0.59) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL288852 0.79 KDM4E (0.59) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL290101 0.78 ALDH1A1 (0.64) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL289676 0.78 KDM4E (0.57) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL290278 0.78 KDM4E (0.66) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL3827647 0.78 KDM4E (0.69) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL290135 0.78 ALDH1A1 (0.62) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL289139 0.78 KDM4E (0.86) RAB9AKDM4EMAPTNPC1SMN1; SMN2

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