SCHEMBL5824083

SCHEMBL5824083

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

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 1/20 0.44
▸ DAO P14920 1/20 0.43
▸ FFAR1 O14842 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ MAPT P10636 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ RECQL P46063 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TP53 P04637 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
SCHEMBL5794763 0.82 PTGDR2 (0.53) PTGDR2DAOFFAR1ALDH1A1LMNA
SCHEMBL6112072 0.68 MEN1 (0.45) PTGDR2ALDH1A1LMNAHPGDKMT2A
SCHEMBL23482876 0.68 TSHR (0.47) PTGDR2DAOALDH1A1LMNASMN1; SMN2
SCHEMBL5761789 0.67 NPC1 (0.54) DAOLMNAKMT2ARAB9ASMN1; SMN2
SCHEMBL20759378 0.66 DAO (0.51) PTGDR2DAOALDH1A1LMNASMN1; SMN2
SCHEMBL18776164 0.65 PTGDR2 (0.51) PTGDR2DAOFFAR1ALDH1A1LMNA
SCHEMBL23623388 0.65 TSHR (0.49) PTGDR2DAOALDH1A1LMNASMN1; SMN2
SCHEMBL10600460 0.65 TSHR (0.48) PTGDR2DAOALDH1A1LMNAHPGD
Bicarbonate SCHEMBL11298239 0.63 KDM4E (0.60) ALDH1A1LMNAMAPTHPGDKMT2A
SCHEMBL7346371 0.63 L3MBTL1 (0.62) FFAR1ALDH1A1LMNASMN1; SMN2TP53

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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