SCHEMBL289667

SCHEMBL289667

CCOC(=O)c1cc(-c2ccc(-c3cc4ccccc4s3)s2)ccc1C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.49
JAK3 P52333 1/20 0.49
FOS P01100 1/20 0.44
JUN P05412 1/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 5/20 0.44
MAPT P10636 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
HSD17B10 Q99714 3/20 0.44
GAA P10253 2/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 1/20 0.41
PRF1 P14222 1/20 0.41
LMNA P02545 2/20 0.41
MEN1 O00255 2/20 0.41
NPC1 O15118 2/20 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
SCHEMBL289404 0.84 ACLY (0.49) APPERN1ACLY
SCHEMBL15028923 0.78 JAK2 (0.56) JAK2JAK3FOSJUNNFKB1
SCHEMBL31536364 0.77 ALDH1A1 (0.51) JAK2JAK3FOSJUNNFKB1
SCHEMBL13305638 0.77 APP (0.54) JAK2JAK3FOSJUNNFKB1
SCHEMBL289672 0.77 ALDH1A1 (0.47) ALDH1A1HPGDMAPTRAB9ASMN1; SMN2
SCHEMBL289663 0.75 JAK2 (0.47) JAK2JAK3FOSJUNNFKB1
SCHEMBL288852 0.75 KDM4E (0.59) JAK2JAK3ALDH1A1HPGDMAPT
SCHEMBL290424 0.74 CDC7 (0.52) JAK2JAK3FOSJUNNFKB1
SCHEMBL3393014 0.74 JAK2 (0.53) JAK2JAK3FOSJUNNFKB1
SCHEMBL15025443 0.74 JAK2 (0.53) JAK2JAK3FOSJUNNFKB1

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