SCHEMBL28978129

SCHEMBL28978129

CNC(=O)C(Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2)nn1Cc1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.53
▸ MAPT P10636 1/20 0.52
▸ ALPL P05186 1/20 0.47
▸ PIN1 Q13526 2/20 0.47
▸ PHGDH O43175 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ MMP1 P03956 8/20 0.45
▸ MMP3 P08254 3/20 0.45
▸ MMP9 P14780 2/20 0.45
▸ CTSL P07711 1/20 0.45
▸ CTSB P07858 1/20 0.45
▸ CTSS P25774 1/20 0.45
▸ CTSK P43235 1/20 0.45
▸ FPR1 P21462 1/20 0.44
▸ FPR2 P25090 1/20 0.44

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
SCHEMBL28978126 1.00 L3MBTL1 (0.53) L3MBTL1MAPTALPLPIN1PHGDH
SCHEMBL30288619 1.00 L3MBTL1 (0.53) L3MBTL1MAPTALPLPIN1PHGDH
SCHEMBL28978147 0.98 L3MBTL1 (0.55) L3MBTL1MAPTALPLPIN1PHGDH
SCHEMBL28978150 0.98 L3MBTL1 (0.55) L3MBTL1MAPTALPLPIN1PHGDH
SCHEMBL30288622 0.93 L3MBTL1 (0.49) L3MBTL1MAPTALPLPIN1PHGDH
SCHEMBL28978142 0.93 L3MBTL1 (0.49) L3MBTL1MAPTALPLPIN1PHGDH
SCHEMBL28978145 0.93 L3MBTL1 (0.49) L3MBTL1MAPTALPLPIN1PHGDH
SCHEMBL28978167 0.92 ALPL (0.51) L3MBTL1MAPTALPLPIN1POLB
SCHEMBL30288671 0.92 ALPL (0.51) L3MBTL1MAPTALPLPIN1POLB
SCHEMBL26307759 0.92 ALPL (0.51) L3MBTL1MAPTALPLPIN1POLB

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-115894373-A N-substituted benzylpyrazole derivatives as beta 2 Use of allosteric modulators, antagonists and agonists of the adrenergic receptor 常州大学 2023-04-04 — — CN disclosed
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