SCHEMBL290274

SCHEMBL290274

c1ccc2sc(-c3ccc(-c4nc5ccccc5s4)s3)cc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 15/20 0.59
NPC1 O15118 14/20 0.59
KDM4E B2RXH2 13/20 0.59
MAPT P10636 10/20 0.59
ALDH1A1 P00352 9/20 0.59
SMN1; SMN2 Q16637 8/20 0.59
L3MBTL1 Q9Y468 4/20 0.59
TP53 P04637 4/20 0.59
HSD17B10 Q99714 4/20 0.59
HPGD P15428 4/20 0.59
NPSR1 Q6W5P4 2/20 0.59
PPARG P37231 1/20 0.59
NCOA2 Q15596 1/20 0.59
NCOA1 Q15788 1/20 0.59
RXFP1 Q9HBX9 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
PKM P14618 1/20 0.47
TSHR P16473 1/20 0.46

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
SCHEMBL25165415 0.90 RAB9A (0.59) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL19961704 0.90 RAB9A (0.59) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL29386742 0.90 RAB9A (0.59) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL26744918 0.88 NPC1 (0.45) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL10297868 0.86 NPC1 (0.76) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL26500221 0.83 APP (0.45) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL5148513 0.82 APP (0.57) APPCYP19A1
SCHEMBL27651550 0.82 APP (0.57) APPCYP19A1
SCHEMBL25165379 0.82 RAB9A (0.54) RAB9ANPC1KDM4EMAPTALDH1A1
SCHEMBL26745365 0.80 RAB9A (0.63) RAB9ANPC1KDM4EMAPTALDH1A1

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