SCHEMBL23929022

SCHEMBL23929022

CC(C)(Br)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 4/20 0.48
ALDH1A1 P00352 5/20 0.47
TSHR P16473 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HTT P42858 1/20 0.44
GPR35 Q9HC97 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41

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
SCHEMBL28552981 0.88 NPSR1 (0.57) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL419987 0.85 NPSR1 (0.59) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL9336413 0.85 NPSR1 (0.59) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL30486812 0.85 NPSR1 (0.59) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL5180040 0.83 NPSR1 (0.51) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL4008025 0.82 NPSR1 (0.56) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL2581018 0.82 NPSR1 (0.56) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL8733188 0.82 NPSR1 (0.56) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL8331183 0.82 NPSR1 (0.60) NPSR1HSD17B10KMT2AMEN1TDP1
SCHEMBL2956140 0.82 NPSR1 (0.60) NPSR1HSD17B10KMT2AMEN1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11985889-B2 Organometallic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2024-05-14 US disclosed
US-20210336157-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2021-10-28 US disclosed
CN-113555507-A Organometallic compound and organic light emitting device including the same 三星显示有限公司 2021-10-26 CN disclosed