SCHEMBL11554587

SCHEMBL11554587

NC(=O)c1ccccc1S[N+](=O)[O-]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIRT1 Q96EB6 1/20 0.53
▸ ALDH1A1 P00352 7/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ POLB P06746 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ MAPT P10636 4/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HPGD P15428 1/20 0.44
▸ HSD17B10 Q99714 1/20 0.44
▸ METAP2 P50579 1/20 0.41
▸ BCAT2 O15382 1/20 0.40
▸ GAA P10253 2/20 0.39
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 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
SCHEMBL2461047 0.83 POLB (0.59) ALDH1A1KMT2AMEN1POLBCYP1A2
SCHEMBL31163274 0.83 POLB (0.59) ALDH1A1KMT2AMEN1POLBCYP1A2
SCHEMBL10548910 0.81 CTSD (0.58) ALDH1A1KMT2AMEN1KDM4EMAPT
SCHEMBL1336721 0.77 LMNA (0.42) ALDH1A1KMT2AMEN1CYP3A4SMN1; SMN2
SCHEMBL9130555 0.76 SLC6A4 (0.67) SIRT1ALDH1A1KMT2AMEN1POLB
SCHEMBL4461923 0.76 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1POLBCYP1A2
SCHEMBL29530768 0.76 SIRT1 (0.64) SIRT1ALDH1A1KMT2AMEN1POLB
SCHEMBL3077375 0.76 SIRT1 (0.77) SIRT1ALDH1A1POLBCYP3A4CYP2C19
SCHEMBL11821622 0.76 SIRT1 (0.64) SIRT1ALDH1A1KMT2AMEN1POLB
SCHEMBL1399456 0.76 SIRT1 (0.64) SIRT1ALDH1A1KMT2AMEN1POLB

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116966177-A Combined medicine containing nifuratel acid amide derivative and application thereof 成都贝诺科成生物科技有限公司 2023-10-31 — — CN claimed
CN-116966177-A Combined medicine containing nifuratel acid amide derivative and application thereof 成都贝诺科成生物科技有限公司 2023-10-31 — — CN disclosed
CN-116966177-A Combined medicine containing nifuratel acid amide derivative and application thereof 成都贝诺科成生物科技有限公司 2023-10-31 — — CN disclosed
US-4152518-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1979-05-01 — — US disclosed
US-4152518-A ANTIINFLAMMATORY AGENTS STERLING DRUG INC. (US) 1979-05-01 — — US disclosed
US-4112105-A Anti-inflammatory 3-(substituted-amino)-2,1-benzisothiazoles STERLING DRUG INC. (US) 1978-09-05 — — US disclosed
US-4112105-A Anti-inflammatory 3-(substituted-amino)-2,1-benzisothiazoles STERLING DRUG INC. (US) 1978-09-05 — — US disclosed
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