SCHEMBL21699392

SCHEMBL21699392

c1ccc(-c2ccc(Nc3ccc(C45CC6CC7CC(C4)C765)cc3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ ALOX15 P16050 2/20 0.36
▸ ALOX12 P18054 2/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ PTGS1 P23219 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ PTGS2 P35354 1/20 0.36
▸ HTR2B P41595 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PKM P14618 1/20 0.35
▸ RAD52 P43351 1/20 0.35
▸ GFER P55789 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
SCHEMBL25569696 0.82 HDAC8 (0.38) SLC6A2ALDH1A1ALOX15HSD17B10TSHR
SCHEMBL22815471 0.80 ALDH1A1 (0.34) SLC6A2ALDH1A1L3MBTL1TDP1MEN1
SCHEMBL22815664 0.80 ALDH1A1 (0.34) SLC6A2ALDH1A1L3MBTL1TDP1MEN1
SCHEMBL22815310 0.80 ALDH1A1 (0.34) SLC6A2ALDH1A1L3MBTL1TDP1MEN1
SCHEMBL22815369 0.75 SLC6A2 (0.31) SLC6A2ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL22815469 0.75 SLC6A2 (0.31) SLC6A2ALDH1A1L3MBTL1TDP1MAPT
SCHEMBL21670815 0.74 EPHX2 (0.53) SLC6A2ALDH1A1ALOX15ALOX12L3MBTL1
SCHEMBL22161661 0.74 EPHX2 (0.53) SLC6A2ALDH1A1ALOX15ALOX12L3MBTL1
SCHEMBL22815488 0.74 HSD11B1 (0.38) SLC6A2ALDH1A1ALOX15ALOX12L3MBTL1
SCHEMBL24961144 0.74 HTT (0.36) ALDH1A1L3MBTL1TSHRMAPK1TDP1

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-3608320-B1 ORGANIC ELECTROLUMINESCENCE DEVICE AND CONDENSED CYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO LTD (KR) 2023-05-10 — — EP disclosed
EP-3608320-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND CONDENSED CYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE Samsung Display Co., Ltd. (KR) 2020-02-12 — — EP disclosed
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