SCHEMBL30448387

SCHEMBL30448387

O=CC(=O)Nc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.72

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.72
KMT2A Q03164 9/20 0.67
MEN1 O00255 8/20 0.67
POLB P06746 2/20 0.57
RAB9A P51151 4/20 0.56
MAPT P10636 4/20 0.56
MAPK1 P28482 4/20 0.56
NPC1 O15118 3/20 0.56
NAMPT P43490 1/20 0.56
MITF O75030 1/20 0.56
GAA P10253 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MYOC Q99972 1/20 0.56
SMN1; SMN2 Q16637 4/20 0.55
ALDH1A1 P00352 4/20 0.55
LMNA P02545 1/20 0.54
HPGD P15428 1/20 0.54
HTT P42858 1/20 0.54
ALOX12 P18054 1/20 0.54

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
SCHEMBL3919472 0.84 TGM2 (1.00) TGM2KMT2AMEN1POLBRAB9A
SCHEMBL9351751 0.81 ALDH1A1 (0.72) TGM2KMT2AMEN1POLBRAB9A
SCHEMBL31596017 0.81 TGM2 (0.66) TGM2KMT2AMEN1POLBRAB9A
SCHEMBL9351738 0.81 ALDH1A1 (0.72) TGM2KMT2AMEN1POLBRAB9A
SCHEMBL6302157 0.80 MEN1 (1.00) TGM2KMT2AMEN1POLBRAB9A
SCHEMBL1177730 0.80 MEN1 (1.00) TGM2KMT2AMEN1POLBRAB9A
4-Nitro-(4'-Nitro)Cinnamanilide SCHEMBL5315660 0.80 KMT2A (0.70) TGM2KMT2AMEN1POLBRAB9A
SCHEMBL27599954 0.79 MEN1 (0.73) TGM2KMT2AMEN1POLBRAB9A
SCHEMBL152811 0.79 KMT2A (0.74) TGM2KMT2AMEN1POLBRAB9A
SCHEMBL5817153 0.79 KMT2A (0.74) TGM2KMT2AMEN1POLBRAB9A

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-111825605-B Aryl ketone amide compound and preparation method and application thereof 中国科学院上海药物研究所 2023-03-31 CN disclosed