SCHEMBL23455648

SCHEMBL23455648

CNc1cc(C(C)(C)C)ccc1N

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KMT2A Q03164 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ PKM P14618 1/20 0.48
▸ RECQL P46063 1/20 0.48
▸ HSD17B2 P37059 2/20 0.43
▸ HPGD P15428 2/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MAPK1 P28482 2/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ POLB P06746 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KIF11 P52732 3/20 0.35
▸ PRKCI P41743 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35

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
SCHEMBL21416946 0.83 ALDH1A1 (0.53) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL18199919 0.83 ALDH1A1 (0.48) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL118960 0.82 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL30167000 0.82 ALDH1A1 (0.46) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL14934059 0.79 MEN1 (0.41) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL19473247 0.77 ACLY (0.44) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL16418618 0.77 TSHR (0.41) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL18562536 0.76 CNR1 (0.47) ALDH1A1MAPTGAAHSD17B2HPGD
SCHEMBL30035302 0.75 ALDH1A1 (0.59) ALDH1A1MAPTKMT2AMEN1GAA
SCHEMBL22928132 0.75 ALDH1A1 (0.41) ALDH1A1MAPTKMT2AMEN1GAA

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
CN-113024608-B Organic electroluminescent device and organometallic compound for organic electroluminescent device 三星显示有限公司 2024-10-01 — — CN disclosed
US-11616204-B2 Organic electroluminescence device and organometallic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2023-03-28 — — US disclosed
CN-113024608-A Organic electroluminescent device and organometallic compound for organic electroluminescent device 三星显示有限公司 2021-06-25 — — CN disclosed
US-20210175442-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND ORGANOMETALLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 — — US disclosed
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