SCHEMBL28315296

SCHEMBL28315296

CC(C(=O)C(=O)NCC1CC1)N(C)S(=O)(=O)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CXCR3 P49682 3/20 0.41
F2 P00734 1/20 0.40
PRSS1 P07477 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 2/20 0.39
RORC P51449 4/20 0.39
KMT2A Q03164 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
PTGIR P43119 1/20 0.38
NAPEPLD Q6IQ20 1/20 0.38

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
SCHEMBL21176279 0.83 GBA1 (0.43) HPGDCXCR3ALDH1A1L3MBTL1KMT2A
SCHEMBL28316851 0.81 USP2 (0.41) USP2HPGDHSD17B10CXCR3F2
SCHEMBL21176191 0.79 CXCR3 (0.43) CXCR3SIGMAR1ALDH1A1GAAL3MBTL1
SCHEMBL19974906 0.79 F2 (0.43) CXCR3F2PRSS1SIGMAR1ALDH1A1
SCHEMBL19975068 0.79 PTGES (0.43) CXCR3SIGMAR1ALDH1A1GAAL3MBTL1
SCHEMBL19974898 0.76 POLB (0.54) USP2HSD17B10ALDH1A1GAAKMT2A
SCHEMBL19974910 0.76 POLB (0.47) HPGDSIGMAR1ALDH1A1KMT2A
SCHEMBL19975178 0.76 PTGIR (0.43) HPGDALDH1A1PTGIR
SCHEMBL21176355 0.74 SMN1; SMN2 (0.44) CXCR3ALDH1A1GAAL3MBTL1ACHE
SCHEMBL19974922 0.74 SMN1; SMN2 (0.47) CXCR3ALDH1A1GAAL3MBTL1KMT2A

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-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed