SCHEMBL22562268

SCHEMBL22562268

CC1=CC(C)CC(C)=C1c1ccccc1N

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 2/20 0.34
GAA P10253 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
CYP3A4 P08684 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL22298315 0.77
SCHEMBL79791 0.74 ALDH1A1 (0.43) ALDH1A1L3MBTL1HSD17B10GAANOS2
SCHEMBL23938640 0.72 CYP3A4 (0.34) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL23640904 0.72 ALDH1A1 (0.41) ALDH1A1L3MBTL1HSD17B10GAAMEN1
SCHEMBL79391 0.72 ALDH1A1 (0.44) ALDH1A1L3MBTL1HSD17B10GAAMEN1
SCHEMBL20863343 0.71 MAOA (0.39) ALDH1A1HSD17B10MEN1KMT2AKDM4E
SCHEMBL22899342 0.70 ALDH1A1 (0.39) ALDH1A1L3MBTL1HSD17B10GAANOS3
SCHEMBL9885481 0.68 NOS3 (0.30) NOS3NOS2
SCHEMBL78463 0.67 ACHE (0.40) ALDH1A1L3MBTL1HSD17B10GAANOS3
SCHEMBL23838376 0.66

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3663308-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2021-07-14 EP disclosed
EP-3483170-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2021-06-02 EP disclosed
EP-3560940-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE WITH THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2020-11-25 EP disclosed
EP-3725793-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-10-21 EP disclosed