SCHEMBL6583745

SCHEMBL6583745

CC(=O)Nn1c(=O)[nH]c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.51
POLB P06746 1/20 0.47
MEN1 O00255 1/20 0.47
CYP1A2 P05177 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
OPRM1 P35372 1/20 0.41
HSP90AA1 P07900 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
RAB9A P51151 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
SCHEMBL1770261 0.84 MEN1 (0.46) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL4704534 0.84 GRIA2 (0.50) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL11407185 0.81 L3MBTL1 (0.58) POLBCYP1A2KMT2AKDM4EALDH1A1
SCHEMBL14701887 0.74 DAO (0.56) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL5007826 0.72 DAO (0.50) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL28257050 0.72 CYP1A2 (0.54) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL11231429 0.71 DAO (0.53) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL7058947 0.71 MEN1 (0.56) DAOPOLBMEN1CYP1A2KMT2A
SCHEMBL31241488 0.71 POLB (0.55) POLBMEN1KMT2AKDM4EALDH1A1
SCHEMBL11275907 0.70 DAO (0.51) DAOPOLBMEN1CYP1A2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0990653-B1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2004-09-15 EP disclosed
US-6258825-B1 ANALGESIC, A RELIEVER AGAINST TOLERANCE TO A NARCOTIC ANALGESIC REPRESENTED BY MORPHINE, REMEDY FOR PARKINSONISM, A REMEDY FOR CHOREA, AN ANTIDEPRESSANT, A REMEDY FOR DIABETES INSIPIDUS, A REMEDY FOR POLYURIA, OR HYPOTENSION BANYU PHARMACEUTICAL CO., LTD. (JP) 2001-07-10 US disclosed
EP-0990653-A1 2-OXOIMIDAZOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-04-05 EP disclosed