SCHEMBL25344204

SCHEMBL25344204

O=C1c2cccc(F)c2C(=O)N1CC1CCN(N(Cc2ccc(F)cc2)C(=O)CNc2ccc([N+](=O)[O-])c3nonc23)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.38
▸ MEN1 O00255 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ HRH3 Q9Y5N1 2/20 0.34
▸ IDO1 P14902 1/20 0.34
▸ TDO2 P48775 1/20 0.34
▸ MYC P01106 4/20 0.34
▸ NAMPT P43490 1/20 0.34
▸ DRD2 P14416 1/20 0.34
▸ DRD1 P21728 1/20 0.34
▸ GSTM2 P28161 1/20 0.34
▸ HTR4 Q13639 1/20 0.34

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 0.81 ACHE (0.37) KCNH2MEN1USP2HTTRECQL
SCHEMBL25341816 0.80 ALDH1A1 (0.35) KCNH2MEN1USP2HTTRECQL
SCHEMBL30521137 0.80 ACHE (0.38) KCNH2KDM4EALDH1A1LMNAHPGD
SCHEMBL25341745 0.80 ACHE (0.38) KCNH2KDM4EALDH1A1LMNAHPGD
SCHEMBL30521235 0.74 ACHE (0.34) KCNH2MEN1USP2HTTRECQL
SCHEMBL25343824 0.74 ACHE (0.34) KCNH2MEN1USP2HTTRECQL
SCHEMBL30520877 0.71 ALDH1A1 (0.39) KCNH2MEN1KMT2AKDM4EALDH1A1
SCHEMBL25341098 0.70 POLB (0.47) MEN1KMT2AALDH1A1HPGDIDO1
SCHEMBL25342753 0.67 ACHE (0.37) KCNH2MEN1HTTRECQLKMT2A
SCHEMBL30521077 0.67 ACHE (0.37) KCNH2MEN1HTTRECQLKMT2A

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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