SCHEMBL27152580

SCHEMBL27152580

CCOC(=O)c1cc2n(n1)CC(C)N(CC[N+](=O)[O-])C2

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA9 Q16790 1/20 0.38
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ KCNJ1 P48048 1/20 0.35
▸ KCNH2 Q12809 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ MITF O75030 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PDE4B Q07343 1/20 0.34
▸ PDE4D Q08499 1/20 0.34
▸ POLB P06746 1/20 0.34

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
SCHEMBL27146168 0.84 KMT2A (0.38) CA9KMT2ALMNAGAA
SCHEMBL27142451 0.81 KCNJ1 (0.42) CA9KMT2AMEN1ALOX12MAPT
SCHEMBL27136905 0.74 LMNA (0.42) CA9KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL28628118 0.73 KMT2A (0.43) KMT2AMAPTLMNAGAAPOLB
SCHEMBL31389606 0.71 KMT2A (0.44) KMT2AALOX12MAPTALDH1A1SMN1; SMN2
SCHEMBL3309074 0.70 CYP1A2 (0.40) KMT2AMEN1ALDH1A1RXFP1GAA
SCHEMBL27152236 0.70 KMT2A (0.46) KMT2AMEN1MAPTALDH1A1LMNA
SCHEMBL31389811 0.70 MAPT (0.37) KMT2AMAPTSMN1; SMN2LMNA
SCHEMBL28923147 0.69 KMT2A (0.42) CA9KMT2AMAPTALDH1A1GAA
SCHEMBL28923148 0.69 KMT2A (0.42) CA9KMT2AMAPTALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4577537-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS Merck Patent GmbH (DE) 2025-07-02 — — EP disclosed
CN-120091998-A Substituted bicyclic rings as HSET inhibitors 默克专利股份公司 2025-06-03 — — CN disclosed
WO-2024042007-A1 SUBSTITUTED BICYCLES AS HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-02-29 — — WO disclosed
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