SCHEMBL19851075

SCHEMBL19851075

Nc1cnccc1Nc1ccccccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.59
ALDH1A1 P00352 6/20 0.59
KDM4E B2RXH2 5/20 0.59
GAA P10253 5/20 0.59
MEN1 O00255 3/20 0.59
KMT2A Q03164 3/20 0.59
LMNA P02545 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
CYP2C19 P33261 1/20 0.59
PTGS1 P23219 5/20 0.53
PTGS2 P35354 5/20 0.53
IDO1 P14902 1/20 0.47
HPGD P15428 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TP53 P04637 1/20 0.46
APP P05067 1/20 0.46
ALOX15 P16050 1/20 0.46
SNCA P37840 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
SCHEMBL3958329 1.00 MAPT (0.59) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL14003573 0.88 RAD52 (0.52) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL16089612 0.87 TDO2 (0.49) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL16089616 0.81 RAB9A (0.56) MAPTALDH1A1MEN1KMT2ALMNA
SCHEMBL9390146 0.81 PTGS1 (0.51) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL16657388 0.81 LMNA (0.60) GAAMEN1KMT2ALMNAPTGS1
SCHEMBL16657411 0.81 GAA (0.58) MAPTKDM4EGAALMNAPTGS1
SCHEMBL17058278 0.81 PTGS1 (0.43) MAPTALDH1A1KDM4EGAAMEN1
SCHEMBL4714454 0.80 PTGS1 (0.59) MAPTALDH1A1GAAMEN1KMT2A
SCHEMBL4720695 0.80 MAPT (0.45) MAPTALDH1A1KDM4EGAAMEN1

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-2018023851-A1 IMIDAZOPYRIDINE THIOGLYCOLIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 山东大学 2018-02-08 WO disclosed