SCHEMBL4561128

SCHEMBL4561128

Nc1[nH]c(=O)[nH]c(=O)c1N=O.Nc1[nH]c(=O)[nH]c(=O)c1N=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
G6PD P11413 1/20 0.53
TYMP P19971 4/20 0.48
PNP P00491 1/20 0.48
CDK1 P06493 1/20 0.47
CDK4 P11802 1/20 0.47
CDK2 P24941 1/20 0.47
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
GPR84 Q9NQS5 3/20 0.39
MAPT P10636 3/20 0.38
KDM4E B2RXH2 2/20 0.37
CASP6 P55212 1/20 0.37
LIG1 P18858 1/20 0.35
LIG3 P49916 1/20 0.35
LIG4 P49917 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
SCHEMBL191740 1.00 G6PD (0.53) G6PDTYMPPNPCDK1CDK4
SCHEMBL12803960 0.71 GPR84 (0.42) G6PDTYMPCDK1CDK4CDK2
SCHEMBL15018449 0.71 GPR84 (0.39) G6PDTYMPPNPCDK1CDK4
SCHEMBL12265283 0.69
SCHEMBL4560415 0.69 TYMP (0.56) G6PDTYMPPNPMEN1KMT2A
SCHEMBL1099736 0.69 TYMP (0.56) G6PDTYMPPNPMEN1KMT2A
Hydrochloric Acid SCHEMBL5026974 0.67 TYMP (0.58) G6PDTYMPPNPMEN1KMT2A
SCHEMBL9243616 0.65 TYMP (0.52) G6PDTYMPPNPMEN1KMT2A
SCHEMBL1228773 0.65 TYMP (1.00) G6PDTYMPPNPMEN1KMT2A
SCHEMBL2236804 0.65 TYMP (0.52) G6PDTYMPPNPMEN1KMT2A

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