SCHEMBL30159550

SCHEMBL30159550

CN(C(=O)OC(C)(C)C)c1nn(C)c2cc(C(=O)O)ccc12

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 2/20 0.36
▸ BRD4 O60885 2/20 0.36
▸ SLC22A12 Q96S37 6/20 0.35
▸ CSNK2A1 P68400 2/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ B3GNT2 Q9NY97 1/20 0.34
▸ PAX8 Q06710 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ TNKS O95271 1/20 0.33
▸ TNKS2 Q9H2K2 1/20 0.33
▸ RORC P51449 1/20 0.32
▸ HTR2C P28335 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32

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
SCHEMBL23535658 1.00 HCAR3 (0.36) HCAR3BRD4SLC22A12CSNK2A1KDM4E
SCHEMBL30159691 0.88 NOTUM (0.40) BRD4KDM4ESCN9A
SCHEMBL23535765 0.88 NOTUM (0.40) BRD4KDM4ESCN9A
SCHEMBL30204864 0.82 HCAR3 (0.39) HCAR3SLC22A12CSNK2A1TNKSTNKS2
SCHEMBL30039575 0.81 HCAR3 (0.44) HCAR3SLC22A12CSNK2A1KDM4ERORC
SCHEMBL23535847 0.81 HCAR3 (0.44) HCAR3SLC22A12CSNK2A1KDM4ERORC
SCHEMBL15081349 0.77 BRD4 (0.36) BRD4PAX8HTR2CSLC6A4
SCHEMBL23535811 0.75 BRD4 (0.41) HCAR3BRD4SLC22A12RORC
SCHEMBL30159646 0.75 BRD4 (0.41) HCAR3BRD4SLC22A12RORC
SCHEMBL15081313 0.74 L3MBTL1 (0.47) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115427035-B ENL/AF9 YEATS inhibitors 洛克菲勒大学 2025-04-22 — — CN disclosed
CN-117858877-A C-linked inhibitors of ENL/AF9 YEATS 桥梁药品有限公司 2024-04-09 — — CN disclosed
EP-4337662-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS Bridge Medicines (US) 2024-03-20 — — EP disclosed
WO-2022240830-A1 C-LINKED INHIBITORS OF ENL/AF9 YEATS BRIDGE MEDICINES (US) 2022-11-17 — — WO disclosed
EP-4076440-A1 INHIBITORS OF ENL/AF9 YEATS The Rockefeller University (US) 2022-10-26 — — EP disclosed
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