SCHEMBL29954754

SCHEMBL29954754

CN(C)C(=O)c1ccc(B(O)O)cc1F

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ERN1 O75460 2/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
AR P10275 1/20 0.36
MAP2K2 P36507 1/20 0.36
MAP2K1 Q02750 1/20 0.36
MEN1 O00255 2/20 0.35
PIK3CA P42336 2/20 0.35
MTOR P42345 2/20 0.35
GAA P10253 1/20 0.34
POLB P06746 1/20 0.34
CDK2 P24941 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL875274 1.00 KMT2A (0.40) KMT2ASMN1; SMN2L3MBTL1ALDH1A1ERN1
SCHEMBL15465164 0.86 AR (0.45) KMT2ASMN1; SMN2L3MBTL1ALDH1A1ERN1
SCHEMBL950219 0.84 RIPK1 (0.34) KMT2ACES2CES1PIK3CAMTOR
SCHEMBL226335 0.84 PIK3CA (0.39) CES2CES1PIK3CAMTOR
SCHEMBL3788331 0.84 ALDH1A1 (0.40) KMT2ASMN1; SMN2L3MBTL1ALDH1A1MEN1
SCHEMBL29957503 0.82 HSP90AA1 (0.40) ALDH1A1KCNH2
SCHEMBL22575311 0.81 ALDH1A1 (0.38) KMT2ASMN1; SMN2L3MBTL1ALDH1A1ERN1
SCHEMBL30963904 0.80 MAOB (0.43) ALDH1A1CES2CES1
SCHEMBL1319282 0.80 MAOB (0.43) ALDH1A1CES2CES1
SCHEMBL15663058 0.80 MAPT (0.34) CES2CES1MAP2K1PIK3CAMTOR

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
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed