SCHEMBL19908486

SCHEMBL19908486

CC(C)COc1ccc(N(c2ccc(I)cc2)c2ccc(OCC(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 7/20 0.47
MAPT P10636 5/20 0.41
HPGD P15428 3/20 0.41
POLB P06746 3/20 0.41
XBP1 P17861 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 1/20 0.38
ALOX12 P18054 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL173790 0.89 APP (0.50) APPMAPTHPGDPOLBXBP1
SCHEMBL15871058 0.84 TSHR (0.42) MAPTHPGDPOLBXBP1HRH3
SCHEMBL8943750 0.84 MAPT (0.55) MAPTHPGDPOLBXBP1HRH3
SCHEMBL17281130 0.84 MAPT (0.53) MAPTHPGDPOLBXBP1HRH3
SCHEMBL17281109 0.82 KMT2A (0.43) MAPTHPGDPOLBXBP1HRH3
SCHEMBL15871072 0.82 KDM4E (0.48) APPMAPTHPGDPOLBXBP1
SCHEMBL123415 0.78 MAPT (0.55) MAPTHPGDPOLBXBP1KDM4E
SCHEMBL2856507 0.77 CYP3A4 (0.44) APPKDM4EALDH1A1LMNATSHR
SCHEMBL28553590 0.76 MAPT (0.59) MAPTPOLBALDH1A1NPC1RAB9A
SCHEMBL19908437 0.75 MAPT (0.41) APPMAPTHPGDPOLBXBP1

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-2941474-B1 HIGHLY-FLUORESCENT AND PHOTO-STABLE CHROMOPHORES FOR WAVELENGTH CONVERSION NITTO DENKO CORP (JP) 2018-02-28 EP disclosed