SCHEMBL25034788

SCHEMBL25034788

COc1cc(C(=O)NC2CC3(CCNCC3)C2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ PKM P14618 2/20 0.51
▸ EZH2 Q15910 2/20 0.46
▸ HTR4 Q13639 2/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ OPRK1 P41145 1/20 0.45
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ ATM Q13315 1/20 0.44
▸ GLA P06280 1/20 0.44
▸ CYP2C9 P11712 1/20 0.41
▸ PLD2 O14939 1/20 0.41
▸ PLD1 Q13393 1/20 0.41
▸ CNR2 P34972 1/20 0.41
▸ SMYD3 Q9H7B4 1/20 0.41

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
SCHEMBL13575598 0.84 MEN1 (0.71) MEN1KMT2APKMEZH2L3MBTL1
SCHEMBL10144490 0.84 HTR4 (0.61) MEN1KMT2APKMHTR4MAPK1
SCHEMBL10093241 0.83 PKM (0.52) MEN1KMT2APKMEZH2HTR4
SCHEMBL13880856 0.83 MAPK1 (0.56) MEN1KMT2APKMEZH2HTR4
SCHEMBL2546256 0.81 MAPK14 (0.52) MEN1KMT2AHTR4MAPK1OPRK1
SCHEMBL13880649 0.81 MAPK1 (0.58) MEN1KMT2AHTR4MAPK1OPRK1
SCHEMBL12825891 0.81 PKM (0.50) MEN1KMT2APKMEZH2HTR4
SCHEMBL30923249 0.80 GRM5 (0.53) MEN1KMT2AMAPK1L3MBTL1ATM
SCHEMBL12825174 0.80 KMT2A (0.57) MEN1KMT2AMAPK1OPRK1L3MBTL1
SCHEMBL1927002 0.80 KMT2A (0.54) MEN1KMT2AHTR4MAPK1OPRK1

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
WO-2023018238-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 — — WO disclosed
WO-2023017446-A1 NOVEL PLK1 DEGRADATION INDUCING COMPOUND UPPTHERA, INC. (KR) 2023-02-16 — — WO disclosed
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