SCHEMBL4789198

SCHEMBL4789198

CN(C)CCc1cn(Cc2ccccn2)c2ccc([N+](=O)[O-])cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 10/20 0.46
▸ POLB P06746 1/20 0.46
▸ HDAC1 Q13547 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC6 Q9UBN7 1/20 0.40
▸ CFTR P13569 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ CACNB4 O00305 1/20 0.39
▸ CACNA1A O00555 1/20 0.39
▸ CACNA1G O43497 1/20 0.39
▸ CACNG3 O60359 1/20 0.39
▸ CACNA1F O60840 1/20 0.39
▸ CACNA1H O95180 1/20 0.39
▸ CACNB3 P54284 1/20 0.39
▸ CACNA2D1 P54289 1/20 0.39
▸ CACNG7 P62955 1/20 0.39
▸ CACNA1B Q00975 1/20 0.39

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
SCHEMBL4788368 0.82 HTR6 (0.57) HTR6HDAC1HDAC10HDAC8HDAC6
SCHEMBL4031362 0.80 CFTR (0.44) CFTRMAPTBRD4KCNH2MEN1
SCHEMBL3355292 0.76 HTR6 (0.59) HTR6POLBMAPTHTTRXFP1
SCHEMBL31661395 0.72 CFTR (0.51) POLBCFTRMAPTBRD4LMNA
SCHEMBL3509099 0.72 CFTR (0.51) POLBCFTRMAPTBRD4LMNA
SCHEMBL4029748 0.70 CNR2 (0.55) CFTRMAPTMEN1LMNAKMT2A
SCHEMBL917196 0.69 BRD4 (0.51) POLBCFTRMAPTBRD4MEN1
SCHEMBL3648477 0.69 CFTR (0.46) POLBCFTRMAPTMEN1LMNA
SCHEMBL29377752 0.66 GLS (0.62) POLBCFTR
SCHEMBL938567 0.66 GLS (0.62) POLBCFTR

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-2008134354-A1 TNF-α PRODUCTION INHIBITOR ARRAY BIOPHARMA, INC. (US) 2008-11-06 — — WO disclosed
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