SCHEMBL7534544

SCHEMBL7534544

CCCCCCCCNC(=O)N1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 1/20 0.50
▸ HTT P42858 1/20 0.49
▸ NAMPT P43490 2/20 0.48
▸ TPSAB1 Q15661 3/20 0.46
▸ TPSD1 Q9BZJ3 3/20 0.46
▸ TPSG1 Q9NRR2 3/20 0.46
▸ EPHX2 P34913 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ P2RY12 Q9H244 2/20 0.44
▸ KEAP1 Q14145 1/20 0.44
▸ NFE2L2 Q16236 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ CNR1 P21554 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ USP2 O75604 1/20 0.43

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
SCHEMBL18263759 0.85 EPHX2 (0.46) NAMPTTPSAB1TPSD1TPSG1EPHX2
SCHEMBL10739048 0.84 TDP1 (0.65) TDP1HTTNAMPTMEN1KMT2A
SCHEMBL28273729 0.84 TDP1 (0.65) TDP1HTTNAMPTMEN1KMT2A
SCHEMBL28165171 0.84 TDP1 (0.65) TDP1HTTNAMPTMEN1KMT2A
SCHEMBL4285086 0.84 TDP1 (0.65) TDP1HTTNAMPTMEN1KMT2A
SCHEMBL24176160 0.84 TDP1 (0.65) TDP1HTTNAMPTMEN1KMT2A
SCHEMBL10739485 0.84 TDP1 (0.65) TDP1HTTNAMPTMEN1KMT2A
SCHEMBL390208 0.83 EPHX2 (0.46) HTTTPSAB1TPSD1TPSG1EPHX2
SCHEMBL20542744 0.82 NAAA (0.57) EPHX2MEN1KMT2AGAAKEAP1
SCHEMBL12846763 0.82 KMT2A (0.66) HTTEPHX2MEN1KMT2AMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173424-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2002-01-23 — — EP disclosed
WO-2000066566-A1 PYRIMIDINE COMPOUNDS SMITHKLINE BEECHAM PLC (GB) 2000-11-09 — — WO disclosed
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