SCHEMBL2456964

SCHEMBL2456964

CNC(=O)CN(CCOc1ccc(Cl)cc1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 1/20 0.50
▸ ATM Q13315 1/20 0.49
▸ MEN1 O00255 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ BLM P54132 1/20 0.45
▸ PMP22 Q01453 1/20 0.45
▸ BDKRB1 P46663 1/20 0.44
▸ HDAC1 Q13547 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ FDPS P14324 1/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ ALPL P05186 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
SCHEMBL2983973 0.77 SIGMAR1 (0.51) HRH3MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL2972286 0.75 LTA4H (0.50) HRH3MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL21595882 0.75 HRH3 (0.58) HRH3ATMMEN1KMT2ACYP1A2
SCHEMBL10876416 0.75 HRH3 (0.46) HRH3ATMMEN1KMT2ACYP1A2
SCHEMBL23357890 0.74 ATF4 (0.65) MEN1KMT2ACYP1A2CYP3A4CYP2C19
SCHEMBL7492782 0.73 KMT2A (0.62) MEN1KMT2AALDH1A1L3MBTL1NPC1
SCHEMBL10829126 0.72 LTA4H (0.54) HRH3ATMMEN1KMT2ACYP1A2
SCHEMBL2980105 0.72 SIGMAR1 (0.54) HRH3MEN1KMT2AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL27734857 0.71 KMT2A (0.60) MEN1KMT2AALDH1A1L3MBTL1NPC1
Hydrochloric Acid SCHEMBL9243344 0.70 LTA4H (0.60) HRH3ATMMEN1KMT2ACYP1A2

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-8026258-B2 Aryloxyalkylcarbamate-type derivatives, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2011-09-27 — — US disclosed
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