SCHEMBL8686387

SCHEMBL8686387

CCCSC1=NC(=O)CC(=O)N1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.40
DNMT1 P26358 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DYRK3 O43781 1/20 0.38
PIM1 P11309 1/20 0.38
CSNK2A2 P19784 1/20 0.38
CSNK2B P67870 1/20 0.38
CSNK2A1 P68400 1/20 0.38
DYRK1A Q13627 1/20 0.38
CSNK2A3 Q8NEV1 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
HSD17B10 Q99714 1/20 0.31
CTSB P07858 1/20 0.30

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
SCHEMBL3691200 0.75 POLB (0.35) POLBDNMT1CTDSP1TDP1DYRK3
SCHEMBL22275697 0.72 POLB (0.46) POLBDNMT1CTDSP1TDP1ALDH1A1
SCHEMBL7002158 0.71 POLB (0.45) POLBDNMT1CTDSP1TDP1ALDH1A1
SCHEMBL20207033 0.68 GLA (0.31)
Barbituric Acid SCHEMBL691401 0.68 SRC (0.33)
Thiobarbituric SCHEMBL22275895 0.68
Barbituric Acid SCHEMBL5179348 0.67
SCHEMBL11416505 0.64 SCD (0.36) ALDH1A1
SCHEMBL1319284 0.63
Barbituric Acid SCHEMBL7529989 0.63 ITGB3 (0.32) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5747496-A Inhibitors of platelet aggregation ASTRA PHARMACEUTICALS LIMITED (GB) 1998-05-05 US disclosed