SCHEMBL7782372

SCHEMBL7782372

NC(=O)c1ccccc1C=Nc1ccccc1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.71
AKR1C2 P52895 1/20 0.71
AKR1C1 Q04828 1/20 0.71
ALDH1A1 P00352 13/20 0.61
HPGD P15428 11/20 0.61
LMNA P02545 5/20 0.61
HTT P42858 3/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
CA12 O43570 1/20 0.61
CA2 P00918 1/20 0.61
CA9 Q16790 1/20 0.61
KDM4E B2RXH2 11/20 0.56
SMN1; SMN2 Q16637 6/20 0.56
RAB9A P51151 4/20 0.56
MAPT P10636 5/20 0.55
HSD17B10 Q99714 5/20 0.52
TSHR P16473 2/20 0.52
GAA P10253 4/20 0.50
USP2 O75604 2/20 0.50
CYP1A2 P05177 1/20 0.50

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
SCHEMBL4090135 0.90 AKR1C3 (0.81) AKR1C3AKR1C2AKR1C1ALDH1A1HPGD
SCHEMBL11494062 0.85 CA12 (0.58) AKR1C3AKR1C2AKR1C1ALDH1A1HPGD
SCHEMBL10090683 0.83 AKR1C3 (1.00) AKR1C3AKR1C2AKR1C1ALDH1A1HPGD
SCHEMBL348135 0.82 CA12 (0.88) AKR1C3AKR1C2AKR1C1ALDH1A1HPGD
SCHEMBL30962432 0.82 CA12 (0.88) AKR1C3AKR1C2AKR1C1ALDH1A1HPGD
SCHEMBL348136 0.82 CA12 (0.88) AKR1C3AKR1C2AKR1C1ALDH1A1HPGD
SCHEMBL13172728 0.80 CA12 (0.76) AKR1C3AKR1C2AKR1C1ALDH1A1HPGD
SCHEMBL11415275 0.80 LMNA (0.56) AKR1C3AKR1C2AKR1C1ALDH1A1HPGD
SCHEMBL11409315 0.79 HPGD (0.69) AKR1C3AKR1C2AKR1C1ALDH1A1HPGD
SCHEMBL10812989 0.79 HPGD (0.69) AKR1C3AKR1C2AKR1C1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815074-B1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME SK CORP (KR) 2001-10-04 EP disclosed
CN-1070846-C O -carbamoyl -(D) -phenylalanilol compounds and process for preparing the same SK CO LTD (KR) 2001-09-12 CN disclosed
CN-1173863-A O -carbamoyl -(D) -phenylalanilol compounds and process for preparing the same YUKONG LTD (KR) 1998-02-18 CN disclosed
EP-0815074-A1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1998-01-07 EP disclosed
WO-1996024577-A1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-08-15 WO disclosed
WO-1996024577-A1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-08-15 WO disclosed