SCHEMBL5800646

SCHEMBL5800646

Cc1[nH]c(=O)n(C(=O)c2ccccc2)c(=O)c1Br

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMP P19971 3/20 0.56
P2RX4 Q99571 1/20 0.41
IDO1 P14902 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MAPT P10636 2/20 0.36
SRC P12931 1/20 0.36
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ELANE P08246 1/20 0.35
KDM4E B2RXH2 2/20 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
SCHEMBL5815639 0.75 TYMP (0.48) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL31621004 0.73 TYMP (0.60) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL27243901 0.73 TYMP (0.45) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL2189433 0.73 TYMP (0.53) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL2892389 0.71 TYMP (0.43) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL2897883 0.71 TYMP (0.50) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL3015728 0.69 TYMP (0.54) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL9778105 0.68 TYMP (0.54) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL16632478 0.68 TYMP (0.43) TYMPP2RX4IDO1MEN1KMT2A
SCHEMBL11003826 0.67 CYP3A4 (0.57) TYMPP2RX4IDO1MEN1KMT2A

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-2006070292-A2 PYRIMIDINE COMPOUNDS AS ANTI-ICTOGENIC AND/OR ANTI-EPILEPTOGENIC AGENTS QUEEN'S UNIVERSITY AT KINGSTON (US) 2006-07-06 WO disclosed