SCHEMBL24112451

SCHEMBL24112451

CC(=O)COC(=O)c1ccc(C#N)cc1F

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.45
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40
GAA P10253 2/20 0.40
PKM P14618 1/20 0.39
MAP2K1 Q02750 1/20 0.39
GPR27 Q9NS67 1/20 0.39

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
SCHEMBL25783698 0.86 POLB (0.44) POLBMEN1KMT2AALDH1A1TDP1
SCHEMBL4178450 0.85 CA12 (0.47) MEN1KMT2AALDH1A1MAPTTP53
SCHEMBL23835716 0.85 ALDH1A1 (0.45) POLBMEN1KMT2AALDH1A1TDP1
SCHEMBL20267365 0.82 ALDH1A1 (0.50) POLBMEN1KMT2AALDH1A1TDP1
SCHEMBL409948 0.80 MEN1 (0.50) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL10244858 0.79 KMT2A (0.52) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL536199 0.78 MEN1 (0.46) POLBMEN1KMT2AALDH1A1L3MBTL1
SCHEMBL24112443 0.76 TDP1 (0.65) MEN1KMT2AALDH1A1TDP1L3MBTL1
SCHEMBL18785879 0.76 GPR27 (0.41) POLBMEN1KMT2AMAPTTP53
SCHEMBL6116171 0.76 GPR119 (0.44) MEN1KMT2AALDH1A1L3MBTL1LMNA

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-2021252644-A1 INHIBITORS OF CYSTEINE PROTEASES AND METHODS OF USE THEREOF Pardes Biosciences, Inc. (US) 2021-12-16 WO disclosed