SCHEMBL28978153

SCHEMBL28978153

CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2cccc(C)c2)nn1Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 1/20 0.47
▸ CTSB P07858 6/20 0.47
▸ CTSS P25774 6/20 0.47
▸ CTSL P07711 5/20 0.47
▸ CTSK P43235 5/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ POLB P06746 1/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ KCNJ6 P48051 2/20 0.45
▸ KCNJ5 P48544 2/20 0.45
▸ KCNJ3 P48549 2/20 0.45
▸ LMNA P02545 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ CTSV O60911 2/20 0.44
▸ TDP1 Q9NUW8 1/20 0.43
▸ PIN1 Q13526 2/20 0.42
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ NPSR1 Q6W5P4 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
SCHEMBL28978156 1.00 ALPL (0.47) ALPLCTSBCTSSCTSLCTSK
SCHEMBL26306979 0.96 MEN1 (0.46) ALPLCTSBCTSSCTSLCTSK
SCHEMBL28978170 0.96 MEN1 (0.46) ALPLCTSBCTSSCTSLCTSK
SCHEMBL30288616 0.96 MEN1 (0.46) ALPLCTSBCTSSCTSLCTSK
SCHEMBL28978141 0.96 MEN1 (0.46) ALPLCTSBCTSSCTSLCTSK
SCHEMBL30288605 0.96 MEN1 (0.46) ALPLCTSBCTSSCTSLCTSK
SCHEMBL28978143 0.96 ALPL (0.43) ALPLCTSBCTSSCTSLCTSK
SCHEMBL28978144 0.96 MEN1 (0.46) ALPLCTSBCTSSCTSLCTSK
SCHEMBL28978169 0.96 MEN1 (0.46) ALPLCTSBCTSSCTSLCTSK
SCHEMBL30288604 0.96 MEN1 (0.46) ALPLCTSBCTSSCTSLCTSK

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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