SCHEMBL27748175

SCHEMBL27748175

CC(=O)Nc1cc(-c2ccccc2)cc(OC(C)=O)c1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.52
▸ KDM4E B2RXH2 3/20 0.52
▸ APOBEC3A P31941 1/20 0.52
▸ GFER P55789 1/20 0.52
▸ APOBEC3G Q9HC16 1/20 0.52
▸ HDAC3 O15379 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.46
▸ ABCB1 P08183 1/20 0.45
▸ LMNA P02545 2/20 0.45
▸ TSHR P16473 2/20 0.45
▸ GAA P10253 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ ABCC1 P33527 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.43
▸ ADORA2B P29275 1/20 0.43
▸ ADORA1 P30542 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ MAPT P10636 1/20 0.43

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
SCHEMBL28796445 0.87 BACE1 (0.42) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL27879328 0.87 ADORA1 (0.43) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL28794193 0.86 HDAC1 (0.41) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL27850673 0.80 CA12 (0.45) KDM4ELMNAGAAALDH1A1MAPT
SCHEMBL27769336 0.78 TDP1 (0.44) HDAC1KDM4EHDAC3HDAC2LMNA
SCHEMBL27769325 0.78 TDP1 (0.44) KDM4ELMNATSHRGAAMAPK1
SCHEMBL5421934 0.75 ACHE (0.54) KDM4ENPSR1LMNATSHRGAA
SCHEMBL27748176 0.74 PTGS1 (0.62) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL31051459 0.74 NPSR1 (0.54) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G
SCHEMBL14571741 0.73 MAPT (0.58) HDAC1KDM4EAPOBEC3AGFERAPOBEC3G

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
CN-103214464-B Tetrazole-substituted arylamides and application of tetrazole-substituted arylamides using as p2x3 and p2x2/3 receptor antagonists HOFFMANN LA ROCHE 2015-02-18 — — CN disclosed
CN-103159692-A Tetrazole-substituted arylamides HOFFMANN LA ROCHE 2013-06-19 — — CN disclosed
CN-101479250-B Tetrazole-substituted arylamides HOFFMANN LA ROCHE 2013-05-22 — — CN disclosed
CN-101479250-A Tetrazole-substituted arylamides HOFFMANN LA ROCHE (CH) 2009-07-08 — — CN disclosed
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