SCHEMBL31372605

SCHEMBL31372605

C[C@@H](NC(=O)c1cc(C#N)ccc1N)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 13/20 0.48
▸ MAPT P10636 4/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ RECQL P46063 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ XBP1 P17861 1/20 0.37

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
SCHEMBL31372600 0.81 KEAP1 (0.44) MAPTTDP1KDM4EMEN1ALDH1A1
SCHEMBL23638326 0.78 ALDH1A1 (0.55) MAPTTDP1KDM4EMEN1ALDH1A1
SCHEMBL23631772 0.78 ALDH1A1 (0.55) MAPTTDP1KDM4EMEN1ALDH1A1
SCHEMBL6353385 0.78 ABCB1 (0.39) ABCB1MAPTKDM4EALDH1A1
SCHEMBL15402070 0.74 NAMPT (0.47) —
SCHEMBL2033094 0.73 BRAF (0.42) MAPTKDM4EMEN1ALDH1A1KMT2A
SCHEMBL4842734 0.70 ALDH1A1 (0.57) MAPTKDM4EALDH1A1
SCHEMBL13753920 0.70 HSP90AB1 (0.44) KDM4EMEN1ALDH1A1KMT2A
SCHEMBL27467816 0.70 NPC1 (0.47) MAPTTDP1MEN1ALDH1A1KMT2A
SCHEMBL20379477 0.70 KDM4E (0.41) ABCB1MAPTKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025056012-A1 NEUTROPHIL ELASTASE INHIBITOR AND USE THEREOF 上海壹迪生物技术有限公司 2025-03-20 — — WO disclosed
CN-119638624-A Neutrophil elastase inhibitor and application thereof 上海壹迪生物技术有限公司 2025-03-18 — — CN disclosed
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