SCHEMBL14611580

SCHEMBL14611580

Cc1nnc(SCc2ccc([N+](=O)[O-])cc2)nc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.61
POLB P06746 3/20 0.56
LMNA P02545 3/20 0.55
HPGD P15428 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
GAA P10253 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
CNR2 P34972 1/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
PIK3CD O00329 1/20 0.47
ALDH1A1 P00352 3/20 0.47
CTSB P07858 1/20 0.46
HTT P42858 2/20 0.46
TP53 P04637 1/20 0.46
KDM1A O60341 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL14611583 0.79 ALDH1A1 (0.53) MAPTPOLBLMNAHPGDL3MBTL1
SCHEMBL13067231 0.76 MAPT (0.82) MAPTPOLBLMNAHPGDL3MBTL1
SCHEMBL5654152 0.76 MAPT (1.00) MAPTPOLBLMNAHPGDL3MBTL1
SCHEMBL28269768 0.73 MAPT (0.72) MAPTPOLBLMNAHPGDL3MBTL1
SCHEMBL28269805 0.73 MAPT (0.60) MAPTPOLBLMNAHPGDL3MBTL1
SCHEMBL5657175 0.71 MAPT (0.61) MAPTPOLBLMNASMN1; SMN2CNR2
SCHEMBL31273836 0.71 TDP1 (0.64) MAPTPOLBLMNAL3MBTL1SMN1; SMN2
SCHEMBL28532263 0.68 MAPT (0.61) MAPTPOLBLMNAHPGDL3MBTL1
SCHEMBL12271789 0.68 MAPT (0.54) MAPTPOLBLMNASMN1; SMN2ALDH1A1
SCHEMBL6353566 0.68 CTSB (0.51) MAPTPOLBLMNAHPGDL3MBTL1

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-2007017114-A1 NEW SUBSTITUTED AZATHYMIDINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIOUS DISEASES MERLION PHARMACEUTICALS SA (CH) 2007-02-15 WO disclosed