SCHEMBL21174667

SCHEMBL21174667

Nc1ccc(N)cc1.c1ccc(Nc2ccc(NC3CCCCC3)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.60
ALDH1A1 P00352 3/20 0.60
ALOX12 P18054 3/20 0.60
L3MBTL1 Q9Y468 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
HTT P42858 1/20 0.60
MERTK Q12866 1/20 0.56
GAA P10253 6/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
LMNA P02545 4/20 0.51
TDP1 Q9NUW8 3/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
NPY5R Q15761 1/20 0.50
KDM4E B2RXH2 2/20 0.49
GFER P55789 2/20 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
SCHEMBL809549 0.91 MAPT (0.58) MAPTALDH1A1ALOX12L3MBTL1GAA
SCHEMBL809612 0.91 MAPT (0.58) MAPTALDH1A1ALOX12L3MBTL1GAA
SCHEMBL1848681 0.91 MAPT (0.58) MAPTALDH1A1ALOX12L3MBTL1GAA
SCHEMBL11356806 0.91 MAPT (0.58) MAPTALDH1A1ALOX12L3MBTL1GAA
SCHEMBL39716 0.91 MAPT (0.58) MAPTALDH1A1ALOX12L3MBTL1GAA
SCHEMBL9514274 0.91 MAPT (0.58) MAPTALDH1A1ALOX12L3MBTL1GAA
Hydrochloric Acid SCHEMBL23089912 0.90 MAPT (0.57) MAPTALDH1A1ALOX12L3MBTL1GAA
SCHEMBL809415 0.89 MAPT (0.56) MAPTALDH1A1ALOX12L3MBTL1CYP1A2
SCHEMBL30882289 0.88 GAA (0.56) MAPTALDH1A1MERTKGAAMEN1
SCHEMBL1413349 0.88 GAA (0.56) MAPTALDH1A1MERTKGAAMEN1

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-2447344-B1 DIESEL COMPOSITION AND PROCESS FOR IMPROVING OXIDATION STABILITY OF BIODIESEL CHINA PETROLEUM & CHEM CORP (CN) 2019-07-24 EP claimed