SCHEMBL2222809

SCHEMBL2222809

CC(C)COC(=O)n1nc(CBr)cc1CBr

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ P2RX4 Q99571 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ TSHR P16473 4/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ JMJD6 Q6NYC1 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ HDAC2 Q92769 1/20 0.30
▸ HTT P42858 1/20 0.30

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
SCHEMBL4648245 0.72 KMT2A (0.54) P2RX4MEN1HPGDKMT2ATSHR
SCHEMBL2223563 0.70 TSHR (0.50) MEN1KMT2ATSHRALDH1A1L3MBTL1
SCHEMBL1161528 0.66 FAAH (0.40) P2RX4MEN1HPGDKMT2AALDH1A1
SCHEMBL1161808 0.64 SCN9A (0.42) P2RX4MEN1HPGDKMT2ATSHR
SCHEMBL4659663 0.64 MEN1 (0.33) P2RX4MEN1HPGDKMT2ATSHR
SCHEMBL3943731 0.63 HDAC8 (0.42) P2RX4ALDH1A1RAB9ANPC1MAPT
SCHEMBL9987413 0.63 P2RX4 (0.39) P2RX4MEN1HPGDKMT2ATSHR
SCHEMBL19623129 0.61 ALDH1A1 (0.49) MEN1KMT2ATSHRALDH1A1RAB9A
SCHEMBL162880 0.61 KMT2A (0.58) P2RX4MEN1HPGDKMT2ATSHR
SCHEMBL159377 0.61 P2RX4 (0.40) P2RX4MEN1HPGDKMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2729149-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2014-05-14 — — EP disclosed
WO-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 — — WO disclosed
EP-2523665-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS Glaxo Group Limited (GB) 2012-11-21 — — EP disclosed
WO-2011088201-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2011-07-21 — — WO disclosed
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