SCHEMBL11292565

SCHEMBL11292565

COC(=O)CCNc1cc(NCCC(=O)OC)nc(SC)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
ADORA3 P0DMS8 2/20 0.41
ADORA2A P29274 2/20 0.41
POLB P06746 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ALDH1A1 P00352 3/20 0.37
TSHR P16473 2/20 0.36
CA12 O43570 1/20 0.36
CA14 Q9ULX7 1/20 0.36
TMPRSS15 P98073 1/20 0.35
PGK1 P00558 1/20 0.35
LMNA P02545 2/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL10895507 0.84 KMT2A (0.43) PTGDRKMT2AMEN1ADORA3ADORA2A
SCHEMBL10157693 0.70 KMT2A (0.39) KMT2AMEN1POLBSMN1; SMN2CA1
SCHEMBL19072323 0.70 LMNA (0.50) PTGDRKMT2AMEN1POLBSMN1; SMN2
SCHEMBL10157581 0.69 SMN1; SMN2 (0.41) KMT2AMEN1POLBSMN1; SMN2CA1
SCHEMBL16009463 0.68 TOP2A (0.50) KMT2AMEN1SMN1; SMN2ALDH1A1TSHR
SCHEMBL899319 0.68 MEN1 (0.47) PTGDRKMT2AMEN1ADORA3ADORA2A
SCHEMBL9963502 0.67 TMPRSS15 (0.56) SMN1; SMN2TSHRTMPRSS15MAPTHTT
SCHEMBL11292581 0.67 MEN1 (0.45) KMT2AMEN1ADORA3ADORA2ASMN1; SMN2
SCHEMBL6781059 0.67 SMN1; SMN2 (0.54) KMT2AMEN1SMN1; SMN2ALDH1A1LMNA
SCHEMBL3877330 0.67 CYP2D6 (0.59) KMT2AMEN1POLBSMN1; SMN2ALDH1A1

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
EP-0065811-A1 Disperse azopyrimidine dyestuffs IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1982-12-01 EP disclosed