SCHEMBL6993608

SCHEMBL6993608

CSc1ccc(NCC(C)(C)[N+](=O)[O-])cc1.CSc1ccc(NCC(C)(C)[N+](=O)[O-])cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.41
MEN1 O00255 6/20 0.41
KMT2A Q03164 6/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
CYP1A2 P05177 3/20 0.41
CYP2C9 P11712 3/20 0.41
CYP2C19 P33261 3/20 0.41
RECQL P46063 1/20 0.41
CYP3A4 P08684 2/20 0.39
FBP1 P09467 1/20 0.39
GSK3B P49841 1/20 0.36
ALDH1A1 P00352 6/20 0.36
ALOX12 P18054 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPK1 P28482 2/20 0.36
HTT P42858 2/20 0.36
GAA P10253 1/20 0.36
IDO1 P14902 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL6695922 1.00 MAPT (0.41) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL8717449 0.88 MAPT (0.46) MAPTMEN1KMT2ARAB9ARECQL
SCHEMBL6701656 0.80 ALDH1A1 (0.40) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL6697703 0.80 ALDH1A1 (0.40) MAPTMEN1KMT2ARAB9ANPC1
SCHEMBL9174239 0.80 MAPT (0.40) MAPTRECQLALDH1A1SMN1; SMN2MAPK1
SCHEMBL7508194 0.80 MAPT (0.61) MAPTMEN1KMT2ARAB9ARECQL
SCHEMBL3420454 0.80 PTPRF (0.45) MAPTMEN1KMT2AALDH1A1ALOX12
SCHEMBL6703753 0.77 CA2 (0.40) MAPTMEN1KMT2ARAB9AALDH1A1
SCHEMBL1447189 0.77 ALDH1A1 (0.39) MAPTMEN1KMT2ARECQLCYP3A4
SCHEMBL11703236 0.77 HPGD (0.50) MAPTMEN1KMT2ARAB9ACYP1A2

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
EP-1354882-A1 DIPEPTIDYL PEPTIDASE IV INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2003-10-22 EP disclosed