SCHEMBL18175213

SCHEMBL18175213

C/C=C(\N)c1ccc(N2CCCCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.53
▸ MAPT P10636 4/20 0.53
▸ ALOX15 P16050 3/20 0.53
▸ L3MBTL1 Q9Y468 3/20 0.53
▸ HPGD P15428 3/20 0.53
▸ F2 P00734 2/20 0.53
▸ PRSS1 P07477 2/20 0.53
▸ PRSS2 P07478 2/20 0.53
▸ PRSS3 P35030 2/20 0.53
▸ TMPRSS6 Q8IU80 2/20 0.53
▸ ST14 Q9Y5Y6 2/20 0.53
▸ GRIN2D O15399 1/20 0.53
▸ GRIN3B O60391 1/20 0.53
▸ GRIN1 Q05586 1/20 0.53
▸ GRIN2A Q12879 1/20 0.53
▸ GRIN2B Q13224 1/20 0.53
▸ GRIN2C Q14957 1/20 0.53
▸ GRIN3A Q8TCU5 1/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ NPC1 O15118 4/20 0.50

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
SCHEMBL15075762 0.84 ALDH1A1 (0.51) ALDH1A1MAPTALOX15L3MBTL1HPGD
SCHEMBL10473358 0.81 ALDH1A1 (0.56) ALDH1A1MAPTALOX15L3MBTL1HPGD
SCHEMBL10473279 0.81 ALDH1A1 (0.56) ALDH1A1MAPTALOX15L3MBTL1HPGD
SCHEMBL10472249 0.79 ALDH1A1 (0.53) ALDH1A1MAPTALOX15L3MBTL1HPGD
SCHEMBL3555044 0.77 F2 (0.85) ALDH1A1MAPTALOX15L3MBTL1HPGD
SCHEMBL4767629 0.77 NPC1 (0.61) ALDH1A1MAPTALOX15L3MBTL1HPGD
SCHEMBL4873981 0.77 NPC1 (0.61) ALDH1A1MAPTALOX15L3MBTL1HPGD
SCHEMBL1397421 0.77 NPC1 (0.61) ALDH1A1MAPTALOX15L3MBTL1HPGD
SCHEMBL13654718 0.75 ALDH1A1 (0.63) ALDH1A1MAPTALOX15L3MBTL1HPGD
SCHEMBL8106249 0.75 F2 (0.89) ALDH1A1MAPTALOX15L3MBTL1HPGD

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
EP-2170309-B1 2,6-DIOXO,-2,3-DIHYDRO-1H-PURINE COMPOUNDS USEFUL FOR TREATING DISORDERS RELATED TO THE ACTIVITY OF THE TRPA1 CHANNEL HYDRA BIOSCIENCES INC (US) 2016-10-26 — — EP disclosed
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