SCHEMBL3356853

SCHEMBL3356853

CN1CCN(C(=O)Cn2ccc3ccc([N+](=O)[O-])cc32)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HTR7 P34969 1/20 0.62
▸ HRH4 Q9H3N8 2/20 0.50
▸ ALDH1A1 P00352 5/20 0.45
▸ HPGD P15428 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ KRAS P01116 1/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ FAAH O00519 1/20 0.43
▸ MGLL Q99685 1/20 0.43
▸ MAPT P10636 3/20 0.42
▸ POLB P06746 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ GAA P10253 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.41
▸ KCNJ1 P48048 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL3353889 0.81 HRH4 (0.49) HTR7HRH4ALDH1A1HPGDMAPT
SCHEMBL13139566 0.80 HTR7 (0.53) HTR7ALDH1A1HPGDKRASSMN1; SMN2
SCHEMBL13537353 0.79 PTGS2 (0.40) HTR7ALDH1A1HPGDMAPTPOLB
SCHEMBL3356709 0.79 HTR7 (0.79) HTR7ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2870320 0.79 KMT2A (0.54) HTR7L3MBTL1KRASPOLBKMT2A
SCHEMBL2873839 0.79 KMT2A (0.54) HTR7L3MBTL1KRASPOLBKMT2A
SCHEMBL12605568 0.77 KMT2A (0.56) ALDH1A1L3MBTL1SMN1; SMN2MAPTPOLB
SCHEMBL3356235 0.77 HTR7 (0.50) HTR7ALDH1A1KRASMAPTKMT2A
SCHEMBL3357957 0.77 HTR7 (0.63) HTR7HRH4ALDH1A1
SCHEMBL3356633 0.77 HTR7 (0.50) HTR7ALDH1A1L3MBTL1KRASMAPT

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-2141163-A1 Substituted thiazolidinones, their production and utilisation as medicine Bayer Schering Pharma AG (DE) 2010-01-06 — — EP disclosed
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