SCHEMBL25345199

SCHEMBL25345199

O=C(OCc1ccccc1)c1ccc(N(C(=O)COCCOCCN2C(=O)c3ccccc3C(F)C2=O)c2ccc([N+](=O)[O-])c3nonc23)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSTP1 P09211 7/20 0.34
▸ GSTM2 P28161 7/20 0.34
▸ KMT2A Q03164 3/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ MYC P01106 5/20 0.33
▸ MAX P61244 2/20 0.33
▸ USP2 O75604 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ ALDH1A1 P00352 3/20 0.31
▸ HPGD P15428 2/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ ALOX12 P18054 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ HIF1A Q16665 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ BCHE P06276 1/20 0.31
▸ MAPT P10636 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
SCHEMBL30521540 1.00 GSTP1 (0.34) GSTP1GSTM2KMT2AMEN1MYC
SCHEMBL25342114 0.89 MYC (0.35) GSTP1GSTM2KMT2AMEN1MYC
SCHEMBL30520833 0.89 MYC (0.35) GSTP1GSTM2KMT2AMEN1MYC
SCHEMBL30520996 0.84 MEN1 (0.36) KMT2AMEN1MYCMAXHTT
SCHEMBL25343359 0.84 MEN1 (0.36) KMT2AMEN1MYCMAXHTT
SCHEMBL25342697 0.83 GSTP1 (0.38) GSTP1GSTM2KMT2AMEN1MYC
SCHEMBL30520983 0.81 MYC (0.49) GSTP1GSTM2KMT2AMEN1MYC
SCHEMBL25340340 0.81 MYC (0.49) GSTP1GSTM2KMT2AMEN1MYC
SCHEMBL25339888 0.81 MYC (0.33) KMT2AMEN1MYCMAX
SCHEMBL30521037 0.81 MYC (0.33) KMT2AMEN1MYCMAX

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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