SCHEMBL8722718

SCHEMBL8722718

CC(C)(C)NC(=O)[C@@H]1CNCCN1.Cc1ccc(S(=O)(=O)c2ccccc2NC(C)C(=O)O)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ REN P00797 2/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ KCNA5 P22460 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTR6 P50406 3/20 0.33
▸ MMP1 P03956 2/20 0.33
▸ MMP2 P08253 2/20 0.33
▸ MMP9 P14780 2/20 0.33
▸ MMP8 P22894 2/20 0.33
▸ MMP12 P39900 2/20 0.33
▸ MMP13 P45452 2/20 0.33
▸ MMP14 P50281 2/20 0.33
▸ MMP16 P51512 2/20 0.33
▸ MEN1 O00255 3/20 0.32
▸ KMT2A Q03164 3/20 0.32
▸ POLB P06746 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ APOBEC3A P31941 1/20 0.32
▸ RECQL P46063 1/20 0.32
▸ APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL8603532 0.82 ADAMTS4 (0.44) RENMMP1MMP2MMP9MMP13
SCHEMBL8722719 0.78 ALDH1A1 (0.40) RENALDH1A1
SCHEMBL8603277 0.76 ALDH1A1 (0.55) ALDH1A1MMP1MMP2MMP9MMP13
SCHEMBL9152342 0.73 HTR6 (0.42) L3MBTL1KCNA5ALDH1A1HTR6MMP1
SCHEMBL8653117 0.73 HTR6 (0.58) ALDH1A1HTR6MMP1MMP2MMP9
SCHEMBL8603733 0.73 GAA (0.34) RENL3MBTL1ALDH1A1MMP1MMP9
SCHEMBL7365219 0.72 HTR6 (0.41) L3MBTL1KCNA5ALDH1A1HTR6MMP1
SCHEMBL3652033 0.68 L3MBTL1 (0.50) L3MBTL1ALDH1A1
SCHEMBL7558532 0.68 L3MBTL1 (0.50) L3MBTL1ALDH1A1
SCHEMBL1900804 0.68 L3MBTL1 (0.50) L3MBTL1ALDH1A1

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-5792869-A REACTING PIPERAZINE DERIVATIVE WITH SULFONAMIDE DERIVATIVE OF OPTICALLY ACTIVE AMINO ACID, PRECIPITATING LESS SOLUBLE SALT, SEPARATING, DECOMPOSING TO DESIRED DIASTEREOMER YAMAKAWA CHEMICAL INDUSTRY CO., LTD (JP) 1998-08-11 — — US disclosed
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