SCHEMBL30520929

SCHEMBL30520929

O=C(CN1CC(N2C(=O)c3cccc(F)c3C2=O)C1)N(c1ccc(F)cc1C1CC1)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ IDO1 P14902 6/20 0.33
▸ TDO2 P48775 3/20 0.33
▸ DDB1 Q16531 2/20 0.31
▸ CRBN Q96SW2 2/20 0.31
▸ USP2 O75604 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 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
▸ MYC P01106 2/20 0.30
▸ GSTP1 P09211 1/20 0.30
▸ GSTM2 P28161 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
SCHEMBL25342426 1.00 MEN1 (0.36) MEN1KMT2AIDO1TDO2DDB1
SCHEMBL25342588 0.87 ALDH1A1 (0.37) MEN1KMT2AIDO1TDO2USP2
SCHEMBL30521537 0.87 ALDH1A1 (0.37) MEN1KMT2AIDO1TDO2USP2
SCHEMBL25343824 0.86 ACHE (0.34) MEN1KMT2AIDO1TDO2USP2
SCHEMBL30521235 0.86 ACHE (0.34) MEN1KMT2AIDO1TDO2USP2
SCHEMBL31053925 0.83 POLB (0.44) IDO1TDO2ALDH1A1POLBMYC
SCHEMBL25342753 0.82 ACHE (0.37) MEN1KMT2AIDO1TDO2ALDH1A1
SCHEMBL30521077 0.82 ACHE (0.37) MEN1KMT2AIDO1TDO2ALDH1A1
SCHEMBL25342611 0.81 POLB (0.33) MEN1KMT2AIDO1TDO2POLB
SCHEMBL30521090 0.81 POLB (0.33) MEN1KMT2AIDO1TDO2POLB

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
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