SCHEMBL9813607

SCHEMBL9813607

Cc1cccc([N+](=O)[O-])c1NC(=O)C=C1SCC(=O)N1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PSMD14 O00487 1/20 0.51
▸ ALDH1A1 P00352 4/20 0.51
▸ TDP1 Q9NUW8 3/20 0.51
▸ KCNMA1 Q12791 1/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ LMNA P02545 4/20 0.39
▸ HTT P42858 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ KMT2A Q03164 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ GAA P10253 2/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ MAPT P10636 3/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ XBP1 P17861 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ TLR9 Q9NR96 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
SCHEMBL9813600 1.00 PSMD14 (0.51) PSMD14ALDH1A1TDP1KCNMA1SMN1; SMN2
SCHEMBL9813566 0.88 PSMD14 (0.61) PSMD14ALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL9813569 0.88 PSMD14 (0.61) PSMD14ALDH1A1TDP1SMN1; SMN2LMNA
Ralitoline SCHEMBL9813595 0.82 PSMD14 (0.55) PSMD14ALDH1A1TDP1GAA
Ralitoline SCHEMBL635346 0.82 PSMD14 (0.55) PSMD14ALDH1A1TDP1GAA
SCHEMBL9813540 0.81 PSMD14 (0.60) PSMD14ALDH1A1TDP1LMNAHTT
SCHEMBL10853625 0.81 PSMD14 (0.60) PSMD14ALDH1A1TDP1LMNAHTT
SCHEMBL9813617 0.81 ALDH1A1 (0.71) PSMD14ALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL9813610 0.81 ALDH1A1 (0.71) PSMD14ALDH1A1TDP1SMN1; SMN2LMNA
SCHEMBL9813655 0.78 ALDH1A1 (0.66) PSMD14ALDH1A1TDP1SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0124911-B1 4-OXO-THIAZOLIDIN-2-YLIDEN-ACETAMIDE DERIVATIVES, PROCESS FOR THEIR PREPARATION, AND MEDICAMENTS FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM ILLNESSES CONTAINING THEM GÖDECKE AKTIENGESELLSCHAFT (DE) 1991-07-31 — — EP disclosed
US-4563471-A CENTRAL NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY (US) 1986-01-07 — — US disclosed
EP-0124911-A2 4-Oxo-thiazolidin-2-yliden-acetamide derivatives, process for their preparation, and medicaments for the treatment of central nervous system illnesses containing them GÖDECKE AKTIENGESELLSCHAFT (DE) 1984-11-14 — — EP disclosed
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