SCHEMBL16824124

SCHEMBL16824124

CCCOS(=O)(=O)c1ccc(C)cc1-c1c[nH]c2ccc(C#N)cc12

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 6/20 0.41
▸ MAP3K14 Q99558 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ HTR6 P50406 1/20 0.39
▸ NR3C1 P04150 1/20 0.38
▸ NR3C2 P08235 1/20 0.38
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A3 Q01959 3/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL16824120 0.94 MEN1 (0.40) SLC6A4MAP3K14MEN1KMT2AHTR6
SCHEMBL16824114 0.84 MEN1 (0.42) SLC6A4MAP3K14MEN1KMT2AHTR6
SCHEMBL17242239 0.84 POLB (0.45) SLC6A4MAP3K14MEN1KMT2AHTR6
SCHEMBL16824126 0.83 MAPT (0.50) SLC6A4MAP3K14MEN1KMT2AHTR6
SCHEMBL17242293 0.83 MAOA (0.44) MEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL16824131 0.82 HTR6 (0.41) SLC6A4MAP3K14MEN1KMT2AHTR6
SCHEMBL16824118 0.78 MAPT (0.49) SLC6A4MAP3K14MEN1KMT2AHTR6
SCHEMBL16824134 0.78 MEN1 (0.41) SLC6A4MEN1KMT2AHTR6KDM4E
SCHEMBL17242109 0.78 POLB (0.43) SLC6A4MAP3K14MEN1KMT2AHTR6
SCHEMBL17242424 0.77 MAOA (0.42) MEN1KMT2AKDM4ESMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016192657-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS OF USE AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-12-08 — — WO disclosed
EP-3083589-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2016-10-26 — — EP disclosed
WO-2015169180-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-12 — — WO disclosed
WO-2015090235-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS OF USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-25 — — WO disclosed
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