SCHEMBL28448533

SCHEMBL28448533

O=[N+]([O-])c1ccc(Cl)nc1N(CCO)Cc1ccc(C(F)(F)F)nc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR4 P22455 1/20 0.39
POLB P06746 1/20 0.37
MAPT P10636 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
VCAM1 P19320 1/20 0.34
NSD2 O96028 1/20 0.34
NCOA1 Q15788 1/20 0.34
NCOA3 Q9Y6Q9 1/20 0.34
ALDH1A1 P00352 3/20 0.34
KCNH2 Q12809 2/20 0.34
TXNRD1 Q16881 2/20 0.34
GSR P00390 1/20 0.34
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
HTT P42858 2/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
GAA P10253 1/20 0.33
TKT P29401 1/20 0.33
AGTR1 P30556 1/20 0.32
AGTR2 P50052 1/20 0.32

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
SCHEMBL28450709 0.89 POLB (0.41) POLBMAPTSMN1; SMN2VCAM1NSD2
SCHEMBL28456405 0.87 TXNRD1 (0.42) MAPTSMN1; SMN2ALDH1A1TXNRD1HTT
SCHEMBL28475797 0.82 ALDH1A1 (0.38) POLBMAPTSMN1; SMN2ALDH1A1TXNRD1
SCHEMBL28448537 0.79 TXNRD1 (0.43) MAPTSMN1; SMN2ALDH1A1TXNRD1GSR
SCHEMBL27913490 0.76 TXNRD1 (0.39) MAPTALDH1A1TXNRD1GSRAGTR1
SCHEMBL28448531 0.76 MAPT (0.41) FGFR4POLBMAPTVCAM1NSD2
SCHEMBL28458192 0.75 MAPT (0.43) POLBMAPTSMN1; SMN2VCAM1NSD2
SCHEMBL28460738 0.75 MAPT (0.43) POLBMAPTVCAM1NSD2NCOA1
SCHEMBL28458433 0.75 TRPA1 (0.37) MAPTALDH1A1GAA
SCHEMBL28451066 0.74 MAPT (0.41) MAPTSMN1; SMN2ALDH1A1TXNRD1GSR

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