SCHEMBL25343824

SCHEMBL25343824

O=C1c2cccc(F)c2C(=O)N1CC1CCN(CC(=O)N(c2ccc(F)cc2C2CC2)c2ccc([N+](=O)[O-])c3nonc23)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.34
▸ ALDH1A1 P00352 3/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ FAAH O00519 1/20 0.32
▸ MEN1 O00255 4/20 0.31
▸ KMT2A Q03164 4/20 0.31
▸ IDO1 P14902 3/20 0.31
▸ TDO2 P48775 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ S1PR4 O95977 1/20 0.31
▸ S1PR1 P21453 1/20 0.31
▸ POLB P06746 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ S100A4 P26447 1/20 0.31
▸ HTT P42858 1/20 0.31

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
SCHEMBL30521235 1.00 ACHE (0.34) ACHEALDH1A1KDM4ELMNAHPGD
SCHEMBL25342439 0.93 IDO1 (0.33) ACHEALDH1A1FAAHMEN1KMT2A
SCHEMBL30520863 0.93 IDO1 (0.33) ACHEALDH1A1FAAHMEN1KMT2A
SCHEMBL25342588 0.91 ALDH1A1 (0.37) ACHEALDH1A1KDM4ELMNAHPGD
SCHEMBL30521537 0.91 ALDH1A1 (0.37) ACHEALDH1A1KDM4ELMNAHPGD
SCHEMBL25342753 0.89 ACHE (0.37) ACHEALDH1A1KDM4EFAAHMEN1
SCHEMBL30521077 0.89 ACHE (0.37) ACHEALDH1A1KDM4EFAAHMEN1
SCHEMBL30520929 0.86 MEN1 (0.36) ALDH1A1MEN1KMT2AIDO1TDO2
SCHEMBL25342426 0.86 MEN1 (0.36) ALDH1A1MEN1KMT2AIDO1TDO2
SCHEMBL31053925 0.85 POLB (0.44) ALDH1A1LMNAHPGDIDO1TDO2

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-2023143494-A1 NEW PROTAC COMPOUND 甘李药业股份有限公司 2023-08-03 — — WO disclosed
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