SCHEMBL28091661

SCHEMBL28091661

COC1=NN(c2ccccc2)C(C=O)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 9/20 0.41
▸ KMT2A Q03164 9/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ MAPT P10636 5/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ATM Q13315 5/20 0.37
▸ ALDH1A1 P00352 5/20 0.37
▸ GAA P10253 5/20 0.37
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ KDM4E B2RXH2 3/20 0.37
▸ GLA P06280 3/20 0.37
▸ HPGD P15428 3/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ EGFR P00533 2/20 0.37
▸ ERBB2 P04626 2/20 0.37
▸ S1PR4 O95977 1/20 0.37
▸ S1PR1 P21453 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37

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
SCHEMBL25178380 0.81 MAPT (0.48) MEN1KMT2ATDP1USP2MAPT
SCHEMBL28091697 0.79 MEN1 (0.35) MEN1KMT2ATDP1USP2MAPT
SCHEMBL27692151 0.78 SHMT2 (0.45) MEN1KMT2ATDP1USP2MAPT
SCHEMBL28203288 0.78 MEN1 (0.38) MEN1KMT2ATDP1USP2MAPT
SCHEMBL27555197 0.76 MEN1 (0.56) MEN1KMT2ATDP1USP2MAPT
SCHEMBL28774867 0.75 MEN1 (0.36) MEN1KMT2ATDP1USP2MAPT
SCHEMBL29051504 0.74 PTGS1 (0.41) MEN1KMT2AMAPTALDH1A1PDE5A
SCHEMBL27778006 0.74 EGFR (0.55) MEN1KMT2ATDP1USP2MAPT
SCHEMBL27712024 0.73 MEN1 (0.37) MEN1KMT2ATDP1USP2MAPT
SCHEMBL27798998 0.71 PRKCZ (0.49) MEN1KMT2AATML3MBTL1MAOA

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
CN-105980363-A Aminopyrazolone Derivatives 第三共株式会社 2016-09-28 — — CN disclosed
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