SCHEMBL5797218

SCHEMBL5797218

Cc1[nH]c(=O)n(Cc2ccc([N+](=O)[O-])cc2)c(=O)c1Br

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.48
▸ TYMS P04818 1/20 0.48
▸ KMT2A Q03164 5/20 0.47
▸ MEN1 O00255 4/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ P2RX4 Q99571 1/20 0.45
▸ PIK3R1 P27986 1/20 0.43
▸ PIK3CA P42336 1/20 0.43
▸ AR P10275 3/20 0.43
▸ SRC P12931 1/20 0.43
▸ PRKACA P17612 1/20 0.43
▸ PRKACG P22612 1/20 0.43
▸ PRKACB P22694 1/20 0.43
▸ NOX4 Q9NPH5 1/20 0.43
▸ POLB P06746 3/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41

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
SCHEMBL5801672 0.77 L3MBTL1 (0.59) DHFRTYMSKMT2AMEN1L3MBTL1
SCHEMBL4762293 0.74 KMT2A (0.48) TYMSKMT2AMEN1POLB
SCHEMBL4765767 0.72 ALDH1A1 (0.53) TYMSKMT2AMEN1
SCHEMBL4765819 0.71 HSPD1 (0.42) DHFRTYMSKMT2AMEN1L3MBTL1
SCHEMBL9977536 0.70 LMNA (0.68) KMT2AMEN1P2RX4SRCPRKACA
SCHEMBL28676104 0.70 P2RX4 (0.50) KMT2AMEN1L3MBTL1P2RX4SRC
SCHEMBL4171496 0.70 P2RX4 (0.50) KMT2AMEN1L3MBTL1P2RX4SRC
SCHEMBL4229582 0.70 CA12 (0.48) DHFRTYMSKMT2AMEN1L3MBTL1
SCHEMBL7655100 0.68 KDM4E (0.65) KMT2AMEN1L3MBTL1LMNA
SCHEMBL7650431 0.68 KDM4E (0.65) KMT2AMEN1CA12CA9

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
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