SCHEMBL8569467

SCHEMBL8569467

CCC(NC(=O)n1ccnc1)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 4/20 0.35
POLB P06746 1/20 0.35
AGTR2 P50052 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP26A1 O43174 4/20 0.34
EGLN3 Q9H6Z9 1/20 0.33
GPR132 Q9UNW8 1/20 0.33
MME P08473 1/20 0.33

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
SCHEMBL29855580 0.82 FOLH1 (0.49) EGLN3
SCHEMBL19742218 0.82 FOLH1 (0.49) EGLN3
SCHEMBL19742219 0.82 FOLH1 (0.49) EGLN3
SCHEMBL14796565 0.78 CYP26A1 (0.37) TBXAS1AGTR2ALDH1A1CYP26A1EGLN3
SCHEMBL10402927 0.77 CYP26A1 (0.40) ALDH1A1CYP26A1
SCHEMBL23067830 0.76 P2RY12 (0.38)
SCHEMBL17512450 0.76 CYP3A4 (0.40) TBXAS1
SCHEMBL6808774 0.76 KMT2A (0.41) ALDH1A1CYP26A1EGLN3
SCHEMBL22649178 0.75 AHR (0.33) TBXAS1POLBALDH1A1
SCHEMBL9913350 0.74 TBXAS1 (0.34) TBXAS1POLBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108358901-B Deuterated pent-4-enyl-N-furfuryl-NPreparation of (E) -imidazole-1-carbonyl-DL-homoalanine ester and bactericidal activity 中国农业大学 2021-09-14 CN disclosed
EP-0586393-B1 SUBSTITUTED-2-PHENYL-3-METHOXYPROPENOATES AS FUNGICIDES ZENECA LTD (GB) 1998-06-17 EP disclosed
US-5739133-A N-ACYLATED AND ALKYLATED DERIVATIVES OF PYRIDAZINO(4,5-B)-QUINOLINES; EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS; STROKES; ANTIISCHEMIC AND HYPOGLYCEMIC AGENTS; PSYCHOSIS; NEUROGODEGENERATIVE DISORDERS ZENECA LIMITED (GB) 1998-04-14 US disclosed
US-5733910-A Pyridazinedione compounds useful in the treating neurological disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1998-03-31 US disclosed
US-5604227-A EXCITATORY AMINO ACID ANTAGONIST; MONO, DI OR TRI-ACETYLATION OR ALKYLATION IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1997-02-18 US disclosed
US-5599814-A SUBSTITUTED PYRIDAZINO(4,5-B)QUINOLINES AS ANTAGONISTS OF EXCITATORY AMINO ACIDS IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1997-02-04 US disclosed
EP-0516297-B1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LTD (GB) 1996-10-30 EP disclosed
EP-0341845-B1 Fungicides ZENECA LTD (GB) 1995-06-21 EP disclosed
EP-0516297-A1 Pyridazinediones and their use in the treatment of neurological disorders ZENECA LIMITED (GB) 1992-12-02 EP disclosed
EP-0341845-A2 Fungicides ZENECA LIMITED (GB) 1989-11-15 EP disclosed