SCHEMBL5334520

SCHEMBL5334520

CC(C)(C)OC(=O)n1cc(I)c(=O)[nH]c1=O.CC(C)(C)OC(=O)n1cc(I)c(=O)[nH]c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TYMP P19971 8/20 0.45
▸ KMT2A Q03164 2/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ GRIA1 P42261 1/20 0.41
▸ GRIA2 P42262 1/20 0.41
▸ GRIA4 P48058 1/20 0.41
▸ BLM P54132 1/20 0.41
▸ GRIK5 Q16478 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ BUB1 O43683 1/20 0.38
▸ BCHE P06276 1/20 0.35
▸ TK1 P04183 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ THRB P10828 1/20 0.33
▸ BRD4 O60885 1/20 0.32
▸ CREBBP Q92793 1/20 0.32
▸ PYGM P11217 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32

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
SCHEMBL4156346 1.00 TYMP (0.45) TYMPKMT2ACYP1A2GRIA1GRIA2
SCHEMBL16653120 0.83 TK1 (0.43) TYMPBUB1TK1
SCHEMBL8235112 0.81 SQOR (0.49) GRIA1GRIA2GRIA4GRIK5BUB1
SCHEMBL15616807 0.81 LMNA (0.46) KMT2ACYP1A2GRIA1GRIA2GRIA4
SCHEMBL7834254 0.79 THRB (0.34) TYMPKMT2ACYP1A2GRIA1GRIA2
SCHEMBL7821308 0.79 BUB1 (0.34) KMT2ABUB1BCHETK1MAPT
SCHEMBL20445101 0.79 BUB1 (0.38) KMT2ABUB1BCHEMAPTL3MBTL1
SCHEMBL20438154 0.79 BUB1 (0.38) BUB1BCHEMAPTL3MBTL1KDM4E
SCHEMBL17123686 0.76 KMT2A (0.49) TYMPKMT2ACYP1A2GRIA1GRIA2
SCHEMBL31094710 0.74 CYP1A2 (0.38) KMT2ACYP1A2BUB1BCHEMAPT

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
WO-2007122634-A2 PYRIMIDINEDIONES AS TYROSINE KINASE INHIBITORS JUBILANT BIOSYS LIMITED (IN) 2007-11-01 — — WO disclosed
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