SCHEMBL19142011

SCHEMBL19142011

C=C(/C=C(\N=C(/C)c1ccc(-c2ccc(N)cc2)cc1)c1ccccc1)c1ccc2ccccc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.37
GAA P10253 3/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
POLB P06746 1/20 0.37
PLAU P00749 2/20 0.36
GPR39 O43194 1/20 0.36
CYP3A4 P08684 3/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
HPGD P15428 2/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HSD17B10 Q99714 2/20 0.33

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
SCHEMBL19142435 0.95 PLAU (0.38) MAPTGAALMNATP53SMN1; SMN2
SCHEMBL19139313 0.86 MAPT (0.39) MAPTGAALMNATP53SMN1; SMN2
SCHEMBL22328736 0.85 NPC1 (0.38) MAPTLMNATP53SMN1; SMN2CYP3A4
SCHEMBL23049326 0.85 NPC1 (0.38) MAPTTP53SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL19139336 0.80 HDAC8 (0.38) MAPTGAALMNATP53SMN1; SMN2
SCHEMBL22328720 0.79 MAPT (0.39) MAPTGAALMNATP53SMN1; SMN2
SCHEMBL22328700 0.79 HDAC8 (0.39) MAPTALDH1A1HPGD
SCHEMBL22328707 0.78 CES2 (0.37) MAPTLMNASMN1; SMN2POLBMAOB
SCHEMBL19142681 0.77 SMN1; SMN2 (0.36) MAPTSMN1; SMN2POLBMAOAMAOB
SCHEMBL19216995 0.76 PLAU (0.40) MAPTTP53SMN1; SMN2PLAUCYP3A4

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-3192847-A1 ORGANIC LIGHT EMITTING DIODE LG Chem, Ltd. (KR) 2017-07-19 EP disclosed