SCHEMBL28252407

SCHEMBL28252407

O=[N+]([O-])C(C=NO)=Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ FBP1 P09467 6/20 0.53
▸ PRMT1 Q99873 1/20 0.51
▸ CYP1A2 P05177 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 4/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ AKR1C3 P42330 1/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL15271213 0.79 FBP1 (0.58) FBP1PRMT1TDP1ALDH1A1TSHR
SCHEMBL629456 0.79 FBP1 (0.58) FBP1PRMT1TDP1ALDH1A1TSHR
SCHEMBL3651740 0.78 FBP1 (0.56) FBP1PRMT1MEN1KMT2AALDH1A1
SCHEMBL30861408 0.75 FBP1 (0.53) FBP1PRMT1CYP1A2POLBALDH1A1
SCHEMBL9422615 0.72 FBP1 (0.64) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL9328703 0.72 FBP1 (0.64) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL12386158 0.72 FBP1 (0.64) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL632453 0.69 FBP1 (1.00) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL11285723 0.69 FBP1 (0.60) FBP1PRMT1ALDH1A1TSHRAKR1C3
SCHEMBL21631225 0.69 FBP1 (0.60) FBP1PRMT1ALDH1A1TSHRAKR1C3

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-108822135-A A kind of synthetic method of the cyclosubstituted thieno of azepine [3,2-d] thiazole and its derivative 湘潭大学 2018-11-16 — — CN claimed
CN-108822135-A A kind of synthetic method of the cyclosubstituted thieno of azepine [3,2-d] thiazole and its derivative 湘潭大学 2018-11-16 — — CN disclosed
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