SCHEMBL14216407

SCHEMBL14216407

O=[N+]([O-])c1cnccc1N1CCCNCC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 11/20 0.56
▸ HTT P42858 4/20 0.53
▸ ALDH1A1 P00352 4/20 0.52
▸ SMN1; SMN2 Q16637 4/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ GAA P10253 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ CHRNB2 P17787 2/20 0.49
▸ CHRNA4 P43681 2/20 0.49
▸ ROCK1 Q13464 1/20 0.46
▸ CDC42BPB Q9Y5S2 1/20 0.46
▸ POLB P06746 1/20 0.44
▸ HTR6 P50406 2/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ HTR7 P34969 1/20 0.44
▸ HTR2B P41595 1/20 0.44
▸ HTR3A P46098 1/20 0.44
▸ MITF O75030 1/20 0.43
▸ RECQL P46063 1/20 0.43

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
SCHEMBL4437996 0.94 MAPT (0.53) MAPTHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL14216592 0.89 MAPT (0.50) MAPTHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL9425659 0.87 MAPT (0.67) MAPTHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL1710516 0.86 MAPT (0.65) MAPTHTTALDH1A1SMN1; SMN2MAPK1
Pivalate SCHEMBL27791210 0.84 MAPT (0.45) MAPTHTTALDH1A1SMN1; SMN2MAPK1
Tert-Butyl Formate SCHEMBL27770095 0.82 MAPT (0.43) MAPTHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL3055471 0.80 MAPT (0.60) MAPTHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL28822159 0.79 TSHR (0.48) MAPTHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL10514216 0.78 MAPT (0.44) MAPTHTTALDH1A1SMN1; SMN2MAPK1
SCHEMBL15771279 0.77 CYP3A4 (0.52) MAPTHTTALDH1A1SMN1; SMN2MAPK1

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
WO-2008054749-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS SCHERING CORPORATION (US) 2008-05-08 — — WO disclosed
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