SCHEMBL5793463

SCHEMBL5793463

CCc1nn(CC(=O)O)c(SCc2csc(C)n2)nc1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.41
▸ GAA P10253 1/20 0.40
▸ MAPK10 P53779 1/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ ALOX15 P16050 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.36
▸ MAPT P10636 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NPSR1 Q6W5P4 2/20 0.36
▸ RAB9A P51151 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ PKM P14618 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ METAP2 P50579 1/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34

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
SCHEMBL5792610 0.79 PTGDR2 (0.36) ALOX15LMNAPTGDR2
SCHEMBL6112072 0.76 MEN1 (0.45) ALDH1A1KMT2AMEN1ALOX15LMNA
SCHEMBL5794378 0.76 ALOX15 (0.37) ALOX15MAPTLMNAPTGDR2
SCHEMBL5794763 0.74 PTGDR2 (0.53) ALDH1A1KMT2AMAPTSMN1; SMN2NPSR1
SCHEMBL5793255 0.71 DAO (0.42) ALOX15PKMLMNAPTGDR2
SCHEMBL5794072 0.71 PDE5A (0.48) ALDH1A1ALOX15MAPTSMN1; SMN2RAB9A
Acetic Acid SCHEMBL11731347 0.65 SMN1; SMN2 (0.49) ALDH1A1GAAKMT2AMEN1SLC6A3
SCHEMBL856450 0.63 GABRA5 (0.61) ALDH1A1GAAMAPTSMN1; SMN2NPSR1
SCHEMBL7603041 0.63 — —
SCHEMBL14814907 0.62 ALDH1A1 (0.80) ALDH1A1MAPK10KMT2AMEN1ALOX15

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
EP-1644353-A1 AMIDE-SUBSTITUTED 1,2,4-TRIAZIN-5(2H)-ONES FOR THE TREATMENT OF CHRONICALLY INFLAMMATORY DISEASES Bayer HealthCare AG (DE) 2006-04-12 — — EP disclosed
WO-2005003118-A1 AMIDE-SUBSTITUTED 1,2,4-TRIAZIN-5(2H)-ONES FOR THE TREATMENT OF CHRONICALLY INFLAMMATORY DISEASES BAYER HEALTHCARE AG (DE) 2005-01-13 — — WO disclosed
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