SCHEMBL28458302

SCHEMBL28458302

CC(CO)N(Cc1ccc(Cl)nc1)c1nc(Cl)ccc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.41
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.37
DCTPP1 Q9H773 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TXNRD1 Q16881 3/20 0.35
GSR P00390 2/20 0.35
CASP6 P55212 1/20 0.35
MERTK Q12866 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL28453337 0.91 TXNRD1 (0.41) MAPTHTTTXNRD1GSRMERTK
SCHEMBL28456869 0.87 MAPT (0.37) MAPTHTTALDH1A1DCTPP1TXNRD1
SCHEMBL28455076 0.83 MAPT (0.41) MAPTHTTTXNRD1GSRMERTK
SCHEMBL28455078 0.83 MAPT (0.41) MAPTHTTTXNRD1GSRMERTK
SCHEMBL28451066 0.80 MAPT (0.41) MAPTHTTALDH1A1DCTPP1SMN1; SMN2
SCHEMBL27931558 0.80 CHRNB2 (0.40) MAPTALDH1A1DCTPP1TXNRD1GSR
SCHEMBL28450709 0.79 POLB (0.41) MAPTHTTALDH1A1DCTPP1SMN1; SMN2
SCHEMBL28454944 0.79 TXNRD1 (0.40) MAPTHTTTXNRD1GSR
SCHEMBL27913490 0.78 TXNRD1 (0.39) MAPTALDH1A1DCTPP1TXNRD1GSR
SCHEMBL28475797 0.77 ALDH1A1 (0.38) MAPTALDH1A1DCTPP1SMN1; SMN2TXNRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111662283-A Imidazopyridine compound and intermediate, preparation method and application thereof 湖南化工研究院有限公司 2020-09-15 CN claimed
CN-113480541-B Process for producing imidazopyridine compound and intermediate thereof 湖南化工研究院有限公司 2022-09-02 CN disclosed
CN-111662283-B Imidazopyridine compound and intermediate, preparation method and application thereof 湖南化工研究院有限公司 2021-11-16 CN disclosed
CN-113480541-A Process for producing imidazopyridine compound and intermediate thereof 湖南化工研究院有限公司 2021-10-08 CN disclosed
CN-111662283-A Imidazopyridine compound and intermediate, preparation method and application thereof 湖南化工研究院有限公司 2020-09-15 CN disclosed