SCHEMBL18202028

SCHEMBL18202028

Cc1ccccc1-c1ccc(-c2nccc3c2ccc2ccccc23)cc1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.43
MAPT P10636 2/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
APEX1 P27695 1/20 0.43
PMP22 Q01453 1/20 0.43
HTR2B P41595 1/20 0.43
HTR5A P47898 1/20 0.43
CA12 O43570 4/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA9 Q16790 4/20 0.41
BCHE P06276 1/20 0.39
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
S1PR1 P21453 2/20 0.38
CYP2A6 P11509 1/20 0.37
HPRT1 P00492 1/20 0.37

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
SCHEMBL15857666 0.90 MAPT (0.43) CYP3A4MAPTMAPK1LMNAAPEX1
SCHEMBL17343149 0.84 CYP3A4 (0.51) CYP3A4MAPTMAPK1LMNAAPEX1
SCHEMBL25849114 0.84 CYP3A4 (0.51) CYP3A4MAPTMAPK1LMNAAPEX1
SCHEMBL13169277 0.83 CYP3A4 (0.44) CYP3A4MAPTMAPK1LMNAAPEX1
SCHEMBL13169307 0.80 HTR2B (0.58) CYP3A4MAPTMAPK1LMNAAPEX1
SCHEMBL18201963 0.80 MAPT (0.46) CYP3A4MAPTMAPK1LMNAAPEX1
SCHEMBL13863592 0.79 CYP3A4 (0.49) CYP3A4MAPTMAPK1LMNAAPEX1
SCHEMBL13863594 0.79 MAPT (0.43) CYP3A4MAPTMAPK1LMNAAPEX1
SCHEMBL13169280 0.79 ALDH1A1 (0.52) CYP3A4MAPTMAPK1LMNAAPEX1
SCHEMBL13169297 0.79 MAPT (0.40) CYP3A4MAPTMAPK1LMNAAPEX1

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-2217607-B1 ORGANIC METAL COMPLEX, AND ORGANIC LIGHT EMITTING DEVICE AND DISPLAY APPARATUS USING THE SAME CANON KK (JP) 2016-11-02 EP disclosed