SCHEMBL8942367

SCHEMBL8942367

O=C(NCCO)c1cc(=O)n(-c2ccccc2)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSA P10619 8/20 0.53
TSHR P16473 1/20 0.48
ALKBH5 Q6P6C2 8/20 0.47
MME P08473 1/20 0.43
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
BLM P54132 1/20 0.42
ATM Q13315 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CGAS Q8N884 1/20 0.42

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
SCHEMBL11778869 0.84 CTSA (0.57) CTSATSHRALKBH5MMEALDH1A1
SCHEMBL10611784 0.83 NAAA (0.53) CTSATSHRALKBH5ALDH1A1
SCHEMBL8942136 0.80 CTSA (0.57) CTSATSHRALKBH5ALDH1A1LMNA
SCHEMBL8942496 0.78 MEN1 (0.55) CTSATSHRALKBH5ALDH1A1LMNA
SCHEMBL951472 0.77 ALKBH5 (0.73) CTSATSHRALKBH5ALDH1A1LMNA
SCHEMBL11281069 0.76 ALKBH5 (0.48) CTSATSHRALKBH5ALDH1A1LMNA
SCHEMBL11334785 0.76 ALKBH5 (0.61) CTSATSHRALKBH5ALDH1A1LMNA
SCHEMBL1819463 0.75 ALKBH5 (0.61) CTSATSHRALKBH5ALDH1A1LMNA
SCHEMBL6143137 0.74 ALKBH5 (0.55) CTSATSHRALKBH5ALDH1A1LMNA
SCHEMBL11441556 0.74 ALKBH5 (0.59) CTSATSHRALKBH5ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0044768-B1 PROCESS FOR THE PREPARATION OF 1-PHENYL-3-CARBAMOYL-PYRAZOL-5-ONES P C U K PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1983-05-04 EP claimed
US-4348528-A Process for the preparation of 1-phenyl-3-carbamoyl-5-pyrazolones P C U K PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1982-09-07 US claimed
US-5578711-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-11-26 US disclosed
US-5541299-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-07-30 US disclosed
US-5502171-A Process for the preparation of dyestuffs BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-4414151-A Chromiferous complex dyestuffs, a process for their preparation and their application P C U K PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1983-11-08 US disclosed
US-4348528-A Process for the preparation of 1-phenyl-3-carbamoyl-5-pyrazolones P C U K PRODUITS CHIMIQUES UGINE KUHLMANN (FR) 1982-09-07 US disclosed