SCHEMBL30288612

SCHEMBL30288612

CNC(=O)[C@H](Cc1cccc(Br)c1)NC(=O)c1cc(-c2ccc(Br)cc2)n(Cc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 1/20 0.56
▸ CTSS P25774 7/20 0.50
▸ CTSB P07858 6/20 0.50
▸ CTSL P07711 5/20 0.50
▸ CTSK P43235 4/20 0.50
▸ BRD4 O60885 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ MME P08473 3/20 0.41
▸ SMPD1 P17405 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ KCNJ6 P48051 2/20 0.41
▸ KCNJ5 P48544 2/20 0.41
▸ KCNJ3 P48549 2/20 0.41
▸ MARS1 P56192 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL30288589 0.95 MALT1 (0.54) MALT1CTSSCTSBCTSLCTSK
SCHEMBL30288608 0.94 MALT1 (0.53) MALT1CTSSCTSBCTSLCTSK
SCHEMBL30288584 0.92 MALT1 (0.52) MALT1CTSSCTSBCTSLCTSK
SCHEMBL30288595 0.91 MALT1 (0.49) MALT1CTSSCTSBCTSLCTSK
SCHEMBL26307120 0.91 MALT1 (0.49) MALT1CTSSCTSBCTSLCTSK
SCHEMBL30288624 0.91 MALT1 (0.49) MALT1CTSSCTSBCTSLCTSK
SCHEMBL30288649 0.90 MALT1 (0.48) MALT1CTSSCTSBCTSLCTSK
SCHEMBL25412557 0.90 MALT1 (0.48) MALT1CTSSCTSBCTSLCTSK
SCHEMBL25412556 0.90 MALT1 (0.48) MALT1CTSSCTSBCTSLCTSK
SCHEMBL30288593 0.89 SLC16A3 (0.48) MALT1CTSSCTSBCTSLCTSK

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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