SCHEMBL299141

SCHEMBL299141

CC(=O)c1ccc(-c2ccc(-c3nc(C)c(C(C)=O)s3)s2)s1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.52
ALDH1A1 P00352 5/20 0.50
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 6/20 0.46
GAA P10253 3/20 0.46
LMNA P02545 1/20 0.46
GLA P06280 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
CYP3A4 P08684 1/20 0.43
CYP2A6 P11509 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 1/20 0.40

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
SCHEMBL288793 0.91 KDM4E (0.56) RAB9AALDH1A1KMT2AKDM4EGAA
SCHEMBL299363 0.88 RAB9A (0.55) RAB9AALDH1A1KMT2AKDM4EGAA
SCHEMBL289888 0.85 KDM4E (0.60) RAB9AALDH1A1KDM4ELMNAMAPT
SCHEMBL8575623 0.78 LMNA (0.68) RAB9AALDH1A1KMT2AKDM4EGAA
SCHEMBL12569052 0.78 LMNA (0.68) RAB9AALDH1A1KMT2AKDM4EGAA
SCHEMBL290403 0.77 APP (0.55) RAB9AALDH1A1KMT2AKDM4EGAA
SCHEMBL289321 0.76 CYP3A4 (0.62) RAB9AALDH1A1KMT2AKDM4ELMNA
SCHEMBL1356959 0.76 LMNA (0.70) RAB9AALDH1A1KMT2AKDM4EGAA
Hydrochloric Acid SCHEMBL289747 0.75 CYP3A4 (0.61) RAB9AALDH1A1KMT2AKDM4ELMNA
SCHEMBL289699 0.75 KDM4E (0.61) RAB9AALDH1A1KMT2AKDM4EGAA

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