SCHEMBL29643317

SCHEMBL29643317

CC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.59
▸ NPSR1 Q6W5P4 3/20 0.59
▸ HTT P42858 3/20 0.54
▸ KMT2A Q03164 3/20 0.53
▸ POLB P06746 2/20 0.50
▸ PKM P14618 2/20 0.50
▸ ALDH3A1 P30838 1/20 0.46
▸ ALDH1A1 P00352 5/20 0.45
▸ LMNA P02545 2/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.44
▸ PDE7A Q13946 1/20 0.44
▸ GALR2 O43603 1/20 0.43
▸ MITF O75030 1/20 0.43
▸ HSP90AA1 P07900 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ XBP1 P17861 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ SMN1; SMN2 Q16637 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
SCHEMBL8031368 1.00 MAPT (0.59) MAPTNPSR1HTTKMT2APOLB
SCHEMBL1634473 0.88 NPSR1 (0.49) MAPTNPSR1HTTKMT2APOLB
SCHEMBL14676672 0.81 HCAR3 (0.54) MAPTHTTKMT2APOLBALDH3A1
SCHEMBL571816 0.80 MAPT (0.64) MAPTNPSR1HTTKMT2APOLB
SCHEMBL30585155 0.80 MAPT (0.64) MAPTNPSR1HTTKMT2APOLB
SCHEMBL2282371 0.80 MAPT (0.68) MAPTNPSR1HTTKMT2APOLB
SCHEMBL12426042 0.78 HTT (0.82) MAPTNPSR1HTTKMT2APOLB
SCHEMBL29657482 0.78 MAPT (0.66) MAPTNPSR1HTTKMT2APOLB
SCHEMBL4835079 0.78 MAPT (0.66) MAPTNPSR1HTTKMT2APOLB
SCHEMBL1532370 0.78 MAPT (0.66) MAPTNPSR1HTTKMT2APOLB

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
CN-115025086-A Bicyclic heteroaryl derivatives, their preparation and use 凯瑞康宁生物工程(武汉)有限公司 2022-09-09 — — CN disclosed
CN-110709386-B Bicyclic heteroaryl derivatives, their preparation and use 凯瑞康宁生物工程(武汉)有限公司 2022-06-07 — — CN disclosed
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