SCHEMBL299363

SCHEMBL299363

CC(=O)c1sc(-c2ccc(-c3ccc(C)s3)s2)nc1C

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.55
ALDH1A1 P00352 5/20 0.52
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.44
GAA P10253 2/20 0.43
NPC1 O15118 3/20 0.41
HPGD P15428 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL299141 0.88 RAB9A (0.52) RAB9AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL289699 0.87 KDM4E (0.61) RAB9AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL3826145 0.82 LMNA (0.55) RAB9AALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL290278 0.81 KDM4E (0.66) RAB9AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL290403 0.80 APP (0.55) RAB9AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL288793 0.79 KDM4E (0.56) RAB9AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL289321 0.79 CYP3A4 (0.62) RAB9AALDH1A1KMT2AKDM4ESMN1; SMN2
Hydrochloric Acid SCHEMBL289747 0.78 CYP3A4 (0.61) RAB9AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL3827647 0.77 KDM4E (0.69) RAB9AALDH1A1KMT2AKDM4ESMN1; SMN2
SCHEMBL288141 0.76 KDM4E (0.78) RAB9AALDH1A1KMT2AKDM4ESMN1; 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