SCHEMBL8790902

SCHEMBL8790902

CC(C)C(O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
HPGD P15428 1/20 0.60
KMT2A Q03164 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
CYP3A4 P08684 2/20 0.56
CYP2D6 P10635 2/20 0.56
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56
TSHR P16473 3/20 0.55
LMNA P02545 3/20 0.55
ACP3 P15309 1/20 0.54
ALDH1A1 P00352 3/20 0.52
ACHE P22303 1/20 0.52
ALOX15 P16050 1/20 0.52
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HTT P42858 1/20 0.49
CES2 O00748 1/20 0.49
CES1 P23141 1/20 0.49

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
SCHEMBL27525245 0.87 MEN1 (0.61) MEN1HPGDKMT2AL3MBTL1CYP3A4
SCHEMBL3474640 0.87 MEN1 (0.61) MEN1HPGDKMT2AL3MBTL1CYP3A4
SCHEMBL31580477 0.87 MEN1 (0.61) MEN1HPGDKMT2AL3MBTL1CYP3A4
SCHEMBL2545597 0.87 MEN1 (0.61) MEN1HPGDKMT2AL3MBTL1CYP3A4
SCHEMBL6302886 0.87 MEN1 (0.61) MEN1HPGDKMT2AL3MBTL1CYP3A4
SCHEMBL2150915 0.84 MEN1 (0.52) MEN1HPGDKMT2AL3MBTL1CYP3A4
SCHEMBL19354525 0.84 TSHR (0.57) MEN1HPGDKMT2AL3MBTL1CYP3A4
SCHEMBL254876 0.83 TSHR (0.61) MEN1HPGDKMT2AL3MBTL1TSHR
SCHEMBL2023789 0.83 TSHR (0.61) MEN1HPGDKMT2AL3MBTL1TSHR
SCHEMBL9211692 0.82 L3MBTL1 (0.53) MEN1HPGDKMT2AL3MBTL1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0562480-B1 1-phenyl-5-substituted-1H-1, 2,4-triazole-3-carboxamide derivates, process for preparation of the same, and fungicidal composition comprising the same KUREHA CHEMICAL IND CO LTD (JP) 1997-01-02 EP disclosed
EP-0552558-B1 1,5-Diphenyl-1H-1,2,4-triazole-3-carboxamide derivatives, process for preparation of the same, antifungal composition comprising the same KUREHA CHEMICAL IND CO LTD (JP) 1996-05-22 EP disclosed
EP-0562480-A1 1-phenyl-5-substituted-1H-1, 2,4-triazole-3-carboxamide derivates, process for preparation of the same, and fungicidal composition comprising the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1993-09-29 EP disclosed
EP-0562479-A1 1-Phenyl-5-heterocyclic-1H-1, 2,4-triazole-3-carboxamide derivates, process for preparation of the same, and fungicidal composition comprising the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1993-09-29 EP disclosed
EP-0552558-A1 1,5-Diphenyl-1H-1,2,4-triazole-3-carboxamide derivatives, process for preparation of the same, antifungal composition comprising the same KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1993-07-28 EP disclosed
EP-0371564-A2 (1H-azol-1-ylmethyl)substituted quinoline, quinazoline or quinoxaline derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1990-06-06 EP disclosed