SCHEMBL30521077

SCHEMBL30521077

O=C1c2cccc(F)c2C(=O)N1CCN1CCC(CC(=O)N(c2ccc(F)cc2C2CC2)c2ccc([N+](=O)[O-])c3nonc23)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.37
▸ POLB P06746 2/20 0.33
▸ HTR4 Q13639 1/20 0.32
▸ FAAH O00519 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ GSTP1 P09211 1/20 0.32
▸ GSTM2 P28161 1/20 0.32
▸ MYC P01106 2/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ IDO1 P14902 3/20 0.31
▸ TDO2 P48775 2/20 0.31
▸ DRD2 P14416 2/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ KDM4E B2RXH2 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ PABPC1 P11940 1/20 0.30
▸ S1PR1 P21453 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ RAD52 P43351 1/20 0.30

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
SCHEMBL25342753 1.00 ACHE (0.37) ACHEPOLBHTR4FAAHKCNH2
SCHEMBL30521537 0.92 ALDH1A1 (0.37) ACHEPOLBKCNH2GSTP1GSTM2
SCHEMBL25342588 0.92 ALDH1A1 (0.37) ACHEPOLBKCNH2GSTP1GSTM2
SCHEMBL30521235 0.89 ACHE (0.34) ACHEPOLBFAAHKCNH2GSTP1
SCHEMBL25343824 0.89 ACHE (0.34) ACHEPOLBFAAHKCNH2GSTP1
SCHEMBL31053925 0.87 POLB (0.44) POLBMYCALDH1A1IDO1TDO2
SCHEMBL25342611 0.85 POLB (0.33) ACHEPOLBMYCIDO1TDO2
SCHEMBL30521090 0.85 POLB (0.33) ACHEPOLBMYCIDO1TDO2
SCHEMBL25342017 0.83 POLB (0.37) POLBMYCALDH1A1IDO1TDO2
SCHEMBL30520827 0.83 POLB (0.37) POLBMYCALDH1A1IDO1TDO2

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
CN-118574822-A Novel PROTAC compounds 甘李药业股份有限公司 2024-08-30 — — CN disclosed
WO-2023143494-A1 NEW PROTAC COMPOUND 甘李药业股份有限公司 2023-08-03 — — WO disclosed
Send feedback