SCHEMBL28978145

SCHEMBL28978145

CNC(=O)C(Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccccc2)nn1Cc1cccc(OC)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ FPR1 P21462 1/20 0.49
▸ FPR2 P25090 1/20 0.49
▸ ALPL P05186 1/20 0.47
▸ MME P08473 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ CTSL P07711 4/20 0.45
▸ CTSB P07858 3/20 0.45
▸ CTSS P25774 3/20 0.45
▸ CTSK P43235 3/20 0.45
▸ PIN1 Q13526 2/20 0.45
▸ POLB P06746 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ GPR139 Q6DWJ6 1/20 0.43
▸ PTGER4 P35408 2/20 0.42
▸ PHGDH O43175 1/20 0.42
▸ MAPK8 P45983 1/20 0.41

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
SCHEMBL30288622 1.00 L3MBTL1 (0.49) L3MBTL1FPR1FPR2ALPLMME
SCHEMBL28978142 1.00 L3MBTL1 (0.49) L3MBTL1FPR1FPR2ALPLMME
SCHEMBL28978147 0.93 L3MBTL1 (0.55) L3MBTL1FPR1FPR2ALPLMAPT
SCHEMBL30288619 0.93 L3MBTL1 (0.53) L3MBTL1FPR1FPR2ALPLMAPT
SCHEMBL28978129 0.93 L3MBTL1 (0.53) L3MBTL1FPR1FPR2ALPLMAPT
SCHEMBL28978150 0.93 L3MBTL1 (0.55) L3MBTL1FPR1FPR2ALPLMAPT
SCHEMBL28978126 0.93 L3MBTL1 (0.53) L3MBTL1FPR1FPR2ALPLMAPT
SCHEMBL30288621 0.93 ALPL (0.53) L3MBTL1ALPLMAPTCTSLCTSB
SCHEMBL30288636 0.93 ALPL (0.53) L3MBTL1ALPLMAPTCTSLCTSB
SCHEMBL26307813 0.93 ALPL (0.53) L3MBTL1ALPLMAPTCTSLCTSB

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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