SCHEMBL4560171

SCHEMBL4560171

Cc1[nH]c(=O)[nH]c(=O)c1N.Cc1[nH]c(=O)[nH]c(=O)c1N

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TYMP P19971 5/20 0.52
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PNP P00491 1/20 0.41
RPS6KA3 P51812 1/20 0.38
KDM4E B2RXH2 1/20 0.37
RAB9A P51151 1/20 0.37
ATAD2 Q6PL18 1/20 0.36
LMNA P02545 1/20 0.35
GDA Q9Y2T3 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL2891526 1.00 TYMP (0.52) TYMPNPC1ALDH1A1L3MBTL1PNP
SCHEMBL11736849 0.75 KDM4E (0.46) NPC1ALDH1A1L3MBTL1KDM4ELMNA
SCHEMBL1445690 0.72 TYMP (0.56) TYMPNPC1ALDH1A1PNPATAD2
SCHEMBL4560425 0.72 TYMP (0.56) TYMPNPC1ALDH1A1PNPATAD2
SCHEMBL1099736 0.72 TYMP (0.56) TYMPALDH1A1L3MBTL1PNPRPS6KA3
SCHEMBL4560415 0.72 TYMP (0.56) TYMPALDH1A1L3MBTL1PNPRPS6KA3
SCHEMBL5163518 0.70 TYMP (0.48) TYMPNPC1ALDH1A1ATAD2LMNA
Hydrochloric Acid SCHEMBL5026974 0.70 TYMP (0.58) TYMPALDH1A1L3MBTL1PNPRPS6KA3
SCHEMBL2888237 0.68 TYMP (0.52) TYMPNPC1KDM4ELMNA
SCHEMBL4561126 0.68 TYMP (0.52) TYMPNPC1KDM4ELMNA

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-7557175-B2 Poly(carbonate-co-urea) copolymers and melt transesterification method of preparing these copolymers SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2009-07-07 US disclosed