SCHEMBL9834404

SCHEMBL9834404

O=C(Cc1ccccc1)Nc1nc(CCl)cs1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELOVL1 Q9BW60 1/20 0.65
PRKACA P17612 1/20 0.61
ROCK1 Q13464 1/20 0.61
KMT2A Q03164 4/20 0.60
MEN1 O00255 3/20 0.60
LMNA P02545 1/20 0.60
TP53 P04637 1/20 0.60
SMN1; SMN2 Q16637 3/20 0.58
RORC P51449 1/20 0.57
PDE5A O76074 3/20 0.54
PDE1A P54750 1/20 0.54
PDE1B Q01064 1/20 0.54
PDE1C Q14123 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
ITGB1 P05556 1/20 0.54
ITGA4 P13612 1/20 0.54
NFKB1 P19838 1/20 0.52
CSNK1D P48730 1/20 0.52
NFKB2 Q00653 1/20 0.52
RELA Q04206 1/20 0.52

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
SCHEMBL92487 0.86 ELOVL1 (0.65) ELOVL1PRKACAROCK1KMT2AMEN1
SCHEMBL9153870 0.80 MAPK1 (0.55) KMT2AMEN1LMNATP53SMN1; SMN2
SCHEMBL28268613 0.80 RAB9A (0.75) ELOVL1PRKACAROCK1KMT2AMEN1
SCHEMBL2664517 0.80 KDM4E (0.69) KMT2AMEN1LMNASMN1; SMN2PDE5A
SCHEMBL19380614 0.79 ELOVL1 (1.00) ELOVL1PRKACAROCK1KMT2AMEN1
SCHEMBL353851 0.79 SMN1; SMN2 (0.73) KMT2AMEN1LMNATP53SMN1; SMN2
SCHEMBL9677782 0.78 SMN1; SMN2 (0.71) KMT2AMEN1LMNASMN1; SMN2PDE5A
SCHEMBL77834 0.77 KMT2A (0.77) ELOVL1PRKACAROCK1KMT2AMEN1
SCHEMBL10084285 0.77 ELOVL1 (0.64) ELOVL1PRKACAROCK1KMT2AMEN1
SCHEMBL13357604 0.76 ROCK1 (1.00) ELOVL1PRKACAROCK1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0224919-B1 NEW THIAZOLE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-08-14 EP disclosed
US-4742057-A Antiallergic thiazole compounds FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-05-03 US disclosed
EP-0224919-A2 New thiazole compounds, processes for the preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1987-06-10 EP disclosed