SCHEMBL290403

SCHEMBL290403

COc1ccc(-c2ccc(-c3nc(C)c(C(C)=O)s3)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.55
RAB9A P51151 2/20 0.55
MAPT P10636 6/20 0.50
ALDH1A1 P00352 4/20 0.50
KMT2A Q03164 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
KDM4E B2RXH2 3/20 0.50
NPC1 O15118 2/20 0.50
HPGD P15428 2/20 0.50
GLA P06280 1/20 0.50
GAA P10253 1/20 0.50
MEN1 O00255 3/20 0.47
GSK3A P49840 1/20 0.46
GSK3B P49841 1/20 0.46
PKM P14618 1/20 0.46
MDM2 Q00987 1/20 0.46
LMNA P02545 3/20 0.45
ALOX5 P09917 1/20 0.45
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL289635 0.89 KDM4E (0.57) APPRAB9AMAPTALDH1A1KMT2A
SCHEMBL4741823 0.87 RAB9A (0.70) RAB9AMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL290306 0.85 ALDH1A1 (0.59) APPRAB9AMAPTALDH1A1KMT2A
SCHEMBL299363 0.80 RAB9A (0.55) RAB9AALDH1A1KMT2ASMN1; SMN2KDM4E
SCHEMBL289321 0.77 CYP3A4 (0.62) RAB9AMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL299141 0.77 RAB9A (0.52) RAB9AMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL289964 0.77 SMN1; SMN2 (0.57) RAB9AMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL15656938 0.77 RAB9A (0.63) RAB9AMAPTALDH1A1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL289747 0.76 CYP3A4 (0.61) RAB9AMAPTALDH1A1KMT2ASMN1; SMN2
SCHEMBL290134 0.76 KDM4E (0.75) RAB9AMAPTALDH1A1KMT2ASMN1; 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