SCHEMBL28017384

SCHEMBL28017384

CN(C(=O)COC(=O)NC(C)(C)C)c1cc(-c2ccc(C(F)(F)F)cc2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
FAAH O00519 1/20 0.37
KCNH2 Q12809 1/20 0.36
TRPV1 Q8NER1 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
ABL1 P00519 2/20 0.35
BCR P11274 2/20 0.35
POLQ O75417 1/20 0.35
AAK1 Q2M2I8 2/20 0.35
ADORA3 P0DMS8 1/20 0.34
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL28017381 0.82 AURKB (0.40) FAAHKCNH2TRPV1ABL1BCR
SCHEMBL28155927 0.78 TRPA1 (0.47) ALDH1A1L3MBTL1TRPV1AAK1HDAC1
SCHEMBL16894189 0.77 CACNA1G (0.38) ALDH1A1L3MBTL1FAAHKCNH2TRPV1
SCHEMBL16894276 0.74 AAK1 (0.36) ALDH1A1L3MBTL1FAAHKCNH2TRPV1
SCHEMBL16965653 0.74 KMT2A (0.40) ALDH1A1FAAHKCNH2TRPV1GRIN1
SCHEMBL27619604 0.65 KMT2A (0.54) L3MBTL1TRPV1
SCHEMBL4717327 0.65 ABL1 (0.57) FAAHTRPV1ABL1BCR
SCHEMBL27914450 0.65 ALOX5AP (0.43) ALDH1A1L3MBTL1KCNH2TRPV1ADORA3
SCHEMBL28242126 0.64 ABL1 (0.48) FAAHGRIN2BABL1BCRADORA3
SCHEMBL894252 0.64 KMO (0.55) FAAHTRPV1ABL1BCRADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104684899-B Substituted sulfonamide compounds 霍夫曼-拉罗奇有限公司 2017-07-04 CN disclosed
CN-104684899-A Substituted sulfonamide compounds HOFFMANN LA ROCHE 2015-06-03 CN disclosed