SCHEMBL5794763

SCHEMBL5794763

CCc1nn(CC(=O)O)c(SCc2ccc(OC)cc2)nc1=O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.53
▸ DAO P14920 1/20 0.45
▸ MAPT P10636 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ FFAR1 O14842 1/20 0.41
▸ LMNA P02545 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ TSHR P16473 2/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ NPC1 O15118 1/20 0.40

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
SCHEMBL6112072 0.86 MEN1 (0.45) PTGDR2ALDH1A1HPGDKMT2ALMNA
SCHEMBL5824083 0.82 PTGDR2 (0.44) PTGDR2DAOMAPTALDH1A1HPGD
SCHEMBL5793255 0.79 DAO (0.42) PTGDR2DAOLMNA
SCHEMBL5792610 0.76 PTGDR2 (0.36) PTGDR2LMNA
SCHEMBL5793463 0.74 ALDH1A1 (0.41) PTGDR2MAPTALDH1A1HPGDKMT2A
SCHEMBL5794072 0.72 PDE5A (0.48) PTGDR2MAPTALDH1A1HPGDRAB9A
SCHEMBL5761789 0.69 NPC1 (0.54) DAOKMT2ARAB9ASMN1; SMN2LMNA
SCHEMBL20759378 0.68 DAO (0.51) PTGDR2DAOALDH1A1SMN1; SMN2LMNA
SCHEMBL24076972 0.67 ALOX15 (0.65) PTGDR2MAPTALDH1A1HPGDKMT2A
SCHEMBL18776164 0.67 PTGDR2 (0.51) PTGDR2DAOMAPTALDH1A1HPGD

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
Send feedback