SCHEMBL22670353

SCHEMBL22670353

CC1=NN(c2ccc(OC(F)F)cc2)C(=O)C1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACSS2 Q9NR19 1/20 0.48
▸ MEN1 O00255 7/20 0.42
▸ KMT2A Q03164 7/20 0.42
▸ ALDH1A1 P00352 7/20 0.42
▸ ATM Q13315 2/20 0.42
▸ HSP90AA1 P07900 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PKM P14618 1/20 0.42
▸ CCR6 P51684 1/20 0.42
▸ MAPT P10636 7/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ THRB P10828 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ PSMD14 O00487 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ DNMT1 P26358 1/20 0.39
▸ RXFP1 Q9HBX9 1/20 0.39
▸ LOX P28300 1/20 0.38

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
SCHEMBL22678453 0.88 MAPT (0.41) ACSS2MEN1KMT2AALDH1A1ATM
SCHEMBL5928818 0.83 MEN1 (0.50) ACSS2MEN1KMT2AALDH1A1ATM
SCHEMBL5928903 0.81 MAPT (0.48) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL28709911 0.81 ACSS2 (0.49) ACSS2MEN1KMT2AALDH1A1ATM
SCHEMBL28933622 0.78 ACSS2 (0.59) ACSS2MEN1KMT2AALDH1A1ATM
SCHEMBL5928736 0.77 MAPT (0.49) MEN1KMT2AALDH1A1HTTLMNA
SCHEMBL5713339 0.77 LOX (0.63) MEN1KMT2AALDH1A1ATMHTT
SCHEMBL22670153 0.76 HPGD (0.41) MEN1KMT2AALDH1A1HPGDMAPT
SCHEMBL28685650 0.75 ACSS2 (0.56) ACSS2MEN1KMT2AALDH1A1ATM
SCHEMBL22670032 0.74 POLB (0.49) MEN1KMT2AALDH1A1HPGDHTT

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-2020230136-A1 ACSS2 INHIBITORS AND METHODS OF USE THEREOF METABOMED LTD (IL) 2020-11-19 — — WO disclosed
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