SCHEMBL28568532

SCHEMBL28568532

N#Cc1cn([N+](=O)[O-])c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 1/20 0.53
STAT3 P40763 1/20 0.48
ALDH1A1 P00352 6/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
KMT2A Q03164 4/20 0.46
MEN1 O00255 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
TSHR P16473 1/20 0.46
MAPT P10636 7/20 0.45
POLB P06746 1/20 0.43
HTT P42858 3/20 0.43
PKM P14618 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GPR55 Q9Y2T6 1/20 0.43
KDM4E B2RXH2 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 3/20 0.38

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
SCHEMBL28866030 0.78 VCAM1 (0.49) IMPDH2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL28252836 0.78 HTT (0.38) IMPDH2STAT3ALDH1A1KMT2AMEN1
SCHEMBL2035587 0.74 HTR6 (0.43) ALDH1A1SMN1; SMN2KMT2AMEN1TDP1
SCHEMBL6297019 0.73 IMPDH2 (0.45) IMPDH2STAT3ALDH1A1SMN1; SMN2KMT2A
SCHEMBL28564220 0.71 ALDH1A1 (0.54) IMPDH2ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL1778037 0.69 IMPDH2 (1.00) IMPDH2STAT3ALDH1A1SMN1; SMN2KMT2A
SCHEMBL30344324 0.69 IMPDH2 (1.00) IMPDH2STAT3ALDH1A1SMN1; SMN2KMT2A
SCHEMBL6922436 0.69 IMPDH2 (0.61) IMPDH2STAT3ALDH1A1SMN1; SMN2KMT2A
SCHEMBL3980032 0.69 IMPDH2 (0.61) IMPDH2STAT3ALDH1A1SMN1; SMN2KMT2A
SCHEMBL27947289 0.69 IMPDH2 (0.61) IMPDH2STAT3ALDH1A1SMN1; SMN2KMT2A

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
CN-112920170-B N- (indol-5-yl) aromatic heterocyclic amide compound and preparation method and application thereof 中国医科大学 2023-06-20 CN disclosed
CN-112778316-B N- (indole-5-yl) bicyclic aromatic amide compound and preparation method and application thereof 中国医科大学 2022-03-25 CN disclosed
CN-112920169-B N-indolyl imidazole carboxamide compound and preparation method and application thereof 中国医科大学 2022-03-25 CN disclosed
CN-112920169-A N-indolyl imidazole carboxamide compound and preparation method and application thereof 中国医科大学 2021-06-08 CN disclosed
CN-112920170-A N- (indole-5-yl) aromatic heterocyclic amide compound and preparation method and application thereof 中国医科大学 2021-06-08 CN disclosed
CN-112778316-A N- (indole-5-yl) bicyclic aromatic amide compound and preparation method and application thereof 中国医科大学 2021-05-11 CN disclosed