SCHEMBL22815335

SCHEMBL22815335

c1ccc(Nc2ccc(C34CC5CC6CC(C3)C65C4)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.42
▸ HSD17B10 Q99714 5/20 0.42
▸ ALOX12 P18054 4/20 0.42
▸ L3MBTL1 Q9Y468 4/20 0.42
▸ ALOX15 P16050 3/20 0.42
▸ TSHR P16473 3/20 0.42
▸ TDP1 Q9NUW8 3/20 0.42
▸ PTGS1 P23219 1/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ PTGS2 P35354 1/20 0.42
▸ HTR2B P41595 1/20 0.42
▸ MAPT P10636 5/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GFER P55789 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ PKM P14618 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ GRIN2D O15399 1/20 0.38

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
SCHEMBL23195209 0.82 ALDH1A1 (0.39) ALDH1A1HSD17B10SLC6A2MAPTMEN1
SCHEMBL25906756 0.82 EPHX2 (0.43) ALDH1A1L3MBTL1MAPTMEN1KMT2A
SCHEMBL23206891 0.81 HDAC8 (0.36) ALDH1A1HSD17B10ALOX15TSHRSLC6A2
SCHEMBL23206872 0.80 PTGIR (0.36) ALDH1A1MAPTHPGD
SCHEMBL23206314 0.80 CA12 (0.36) ALDH1A1HSD17B10ALOX15TSHRSLC6A2
SCHEMBL23206879 0.80 KMT2A (0.43) ALDH1A1HSD17B10L3MBTL1TSHRMAPK1
SCHEMBL23195512 0.80 PDK2 (0.39) MAPTMEN1KMT2ALMNAGRIN2D
SCHEMBL23205969 0.79 PDK2 (0.38) —
SCHEMBL22815320 0.76 EPHX2 (0.57) ALDH1A1HSD17B10ALOX12L3MBTL1ALOX15
SCHEMBL25720558 0.76 MEN1 (0.46) ALDH1A1MEN1KMT2ALMNARAD52

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
WO-2020253445-A1 ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 陕西莱特光电材料股份有限公司 2020-12-24 — — WO disclosed
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