SCHEMBL22137016

SCHEMBL22137016

Nc1cccc2c1c1c(-c3ccccc3)cccc1n2-c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.47
HSD17B10 Q99714 1/20 0.47
KDM4E B2RXH2 3/20 0.41
L3MBTL1 Q9Y468 3/20 0.41
ATM Q13315 2/20 0.41
HSPA1A P0DMV8 1/20 0.39
PABPC1 P11940 1/20 0.39
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 2/20 0.36
HTT P42858 2/20 0.36
KMT2A Q03164 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 1/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
IL1R1 P14778 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
MEN1 O00255 1/20 0.35
BRD4 O60885 1/20 0.34

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
SCHEMBL22853001 0.82 ESRRA (0.34) ALDH1A1HSD17B10KDM4EL3MBTL1ATM
SCHEMBL25483294 0.82 ALDH1A1 (0.37) ALDH1A1HSD17B10NPC1RAB9ASMN1; SMN2
SCHEMBL22137152 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EL3MBTL1ATM
SCHEMBL22137187 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10KDM4EL3MBTL1ATM
SCHEMBL19011028 0.80 KDM4E (0.41) ALDH1A1KDM4EL3MBTL1ATMNPC1
SCHEMBL16491725 0.79 L3MBTL1 (0.59) ALDH1A1HSD17B10KDM4EL3MBTL1ATM
SCHEMBL21142134 0.78 L3MBTL1 (0.62) ALDH1A1HSD17B10KDM4EL3MBTL1ATM
SCHEMBL26481042 0.78 PDE6D (0.42) ALDH1A1HSD17B10KDM4EL3MBTL1ATM
SCHEMBL17877943 0.78 KDM4E (0.39) ALDH1A1HSD17B10KDM4EL3MBTL1ATM
SCHEMBL16997217 0.78 ADORA3 (0.40) ALDH1A1KDM4EL3MBTL1ATMNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3670520-B1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND SAMSUNG ELECTRONICS CO LTD (KR) 2022-01-12 EP disclosed
EP-3670520-A1 ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE ORGANOMETALLIC COMPOUND, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND Samsung Electronics Co., Ltd. (KR) 2020-06-24 EP disclosed