SCHEMBL27998198

SCHEMBL27998198

NNC(=O)COc1cc2ccccc2cc1Br

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OGG1 O15527 2/20 0.60
▸ MAPT P10636 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.51
▸ KDM4E B2RXH2 3/20 0.51
▸ NCEH1 Q6PIU2 1/20 0.50
▸ HTT P42858 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ PPARG P37231 1/20 0.43
▸ NCOA2 Q15596 1/20 0.43
▸ NCOA1 Q15788 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ NR2E3 Q9Y5X4 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ NCOA3 Q9Y6Q9 1/20 0.43
▸ HPGD P15428 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ LMNA P02545 2/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ NOTUM Q6P988 1/20 0.41

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
SCHEMBL15426820 0.89 OGG1 (0.69) OGG1MAPTALDH1A1KDM4EHTT
SCHEMBL2321743 0.81 OGG1 (0.62) OGG1MAPTALDH1A1KDM4EHTT
SCHEMBL11643261 0.77 TDP1 (0.53) MAPTALDH1A1KDM4ENCEH1HTT
2-Naphthoxy Acetic Acid Hydrazide SCHEMBL11865987 0.76 MEN1 (0.71) MAPTALDH1A1KDM4EHTTKMT2A
SCHEMBL15426831 0.76 OGG1 (0.73) OGG1MAPTALDH1A1KDM4EKMT2A
SCHEMBL4302000 0.75 OGG1 (1.00) OGG1MAPTALDH1A1KDM4EKMT2A
SCHEMBL27998211 0.75 TSHR (0.52) MAPTALDH1A1KDM4ENCEH1NPSR1
SCHEMBL1272486 0.73 ALDH1A1 (0.73) OGG1ALDH1A1KDM4EHTTKMT2A
SCHEMBL19668428 0.72 TDP1 (0.54) MAPTALDH1A1KDM4EHTTKMT2A
SCHEMBL31692111 0.72 TDP1 (0.54) MAPTALDH1A1KDM4EHTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104276974-A N-Acetylglucosamine-1-phosphate uridyltransferase inhibitor as well as preparation method and application thereof UNIV HUAZHONG AGRICULTURAL 2015-01-14 — — CN disclosed
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