SCHEMBL25341816

SCHEMBL25341816

O=C(CN(Cc1ccc(F)cc1)c1ccc([N+](=O)[O-])c2nonc12)NN1CCC(CN2C(=O)c3cccc(F)c3C2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ IDO1 P14902 4/20 0.34
▸ TDO2 P48775 3/20 0.34
▸ POLB P06746 2/20 0.33
▸ ACHE P22303 2/20 0.33
▸ SLC5A2 P31639 1/20 0.33
▸ KCNH2 Q12809 2/20 0.32
▸ ATM Q13315 1/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ S100A4 P26447 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ RECQL P46063 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL25343022 0.85 ACHE (0.37) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL30521137 0.83 ACHE (0.38) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL25341745 0.83 ACHE (0.38) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL25344204 0.80 KCNH2 (0.38) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL30521235 0.76 ACHE (0.34) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL25343824 0.76 ACHE (0.34) ALDH1A1KDM4ELMNAHPGDSMN1; SMN2
SCHEMBL30520877 0.75 ALDH1A1 (0.39) ALDH1A1KDM4ELMNAHPGDIDO1
SCHEMBL25341098 0.74 POLB (0.47) ALDH1A1HPGDIDO1TDO2POLB
SCHEMBL25342753 0.71 ACHE (0.37) ALDH1A1KDM4EIDO1TDO2POLB
SCHEMBL30521077 0.71 ACHE (0.37) ALDH1A1KDM4EIDO1TDO2POLB

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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