SCHEMBL31054034

SCHEMBL31054034

CC(=O)N(c1ccc(F)cn1)c1ccc([N+](=O)[O-])c2nonc12

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 5/20 0.46
▸ KMT2A Q03164 5/20 0.46
▸ IDO1 P14902 9/20 0.44
▸ TDO2 P48775 4/20 0.43
▸ GSTP1 P09211 5/20 0.40
▸ GSTM2 P28161 5/20 0.40
▸ MYC P01106 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ OPRK1 P41145 1/20 0.38
▸ MAX P61244 1/20 0.37

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
SCHEMBL31054063 0.84 MEN1 (0.53) MEN1KMT2AIDO1TDO2GSTP1
SCHEMBL31053971 0.78 MEN1 (0.55) MEN1KMT2AIDO1TDO2GSTP1
SCHEMBL31590065 0.77 IDO1 (0.43) MEN1KMT2AIDO1TDO2GSTP1
SCHEMBL30521247 0.75 IDO1 (0.49) MEN1KMT2AIDO1TDO2GSTP1
SCHEMBL31053997 0.71 IDO1 (0.45) MEN1KMT2AIDO1TDO2GSTP1
SCHEMBL31589993 0.71 MEN1 (0.43) MEN1KMT2AIDO1TDO2GSTP1
SCHEMBL6834711 0.70 MEN1 (0.69) MEN1KMT2AIDO1GSTP1GSTM2
SCHEMBL14140891 0.69 MEN1 (0.54) MEN1KMT2AGSTP1GSTM2MAPT
SCHEMBL31589214 0.69 MEN1 (0.41) MEN1KMT2AIDO1TDO2GSTP1
SCHEMBL4942785 0.69 MEN1 (0.56) MEN1KMT2AGSTP1GSTM2

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
CN-118574822-A Novel PROTAC compounds 甘李药业股份有限公司 2024-08-30 — — CN disclosed
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