SCHEMBL289685

SCHEMBL289685

O=C(O)c1csc(-c2ccc(-c3cccs3)s2)n1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.80
CHEK1 O14757 1/20 0.52
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
ALDH1A1 P00352 3/20 0.47
ACHE P22303 1/20 0.46
HPGDS O60760 1/20 0.46
RAB9A P51151 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.45
GAA P10253 2/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 2/20 0.45
CASP3 P42574 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
SENP6 Q9GZR1 1/20 0.45
TDP1 Q9NUW8 1/20 0.45

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
SCHEMBL656958 0.89 KDM4E (1.00) KDM4EMEN1KMT2AALDH1A1ACHE
Hydrochloric Acid SCHEMBL6822052 0.88 KDM4E (0.97) KDM4EMEN1KMT2AALDH1A1ACHE
SCHEMBL19114028 0.78 ALDH1A1 (0.59) KDM4EALDH1A1ACHEHPGDSRAB9A
SCHEMBL27906338 0.78 KDM4E (0.78) KDM4ECHEK1MEN1KMT2AALDH1A1
SCHEMBL23792544 0.75 KDM4E (0.73) KDM4ECHEK1MEN1KMT2AALDH1A1
SCHEMBL2691717 0.75 KDM4E (0.73) KDM4ECHEK1MEN1KMT2AALDH1A1
SCHEMBL289627 0.75 KDM4E (0.50) KDM4ECHEK1MEN1KMT2AALDH1A1
SCHEMBL3065986 0.75 KDM4E (0.73) KDM4ECHEK1MEN1KMT2ARAB9A
SCHEMBL288846 0.74 KDM4E (0.84) KDM4EMEN1KMT2AALDH1A1RAB9A
SCHEMBL289732 0.73 ALDH1A1 (0.49) KDM4EMEN1KMT2AALDH1A1RAB9A

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