SCHEMBL30039575

SCHEMBL30039575

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.44
▸ SLC22A12 Q96S37 7/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.40
▸ MAT2A P31153 1/20 0.38
▸ RORC P51449 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ PARP1 P09874 1/20 0.36
▸ EGLN1 Q9GZT9 1/20 0.36

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
SCHEMBL23535847 1.00 HCAR3 (0.44) HCAR3SLC22A12KDM4ECSNK2A1MAT2A
SCHEMBL23535848 0.84 ALDH1A1 (0.41) KDM4EHPGDALDH1A1
SCHEMBL30040748 0.84 ALDH1A1 (0.41) KDM4EHPGDALDH1A1
SCHEMBL30159550 0.81 HCAR3 (0.36) HCAR3SLC22A12KDM4ECSNK2A1RORC
SCHEMBL23535658 0.81 HCAR3 (0.36) HCAR3SLC22A12KDM4ECSNK2A1RORC
SCHEMBL17785249 0.80 HCAR3 (0.47) HCAR3SLC22A12KDM4EHPGDALDH1A1
SCHEMBL4509480 0.80 SLC22A12 (0.57) HCAR3SLC22A12KDM4E
SCHEMBL30040324 0.80 SLC22A12 (0.57) HCAR3SLC22A12KDM4E
SCHEMBL23559591 0.78 HCAR3 (0.46) HCAR3SLC22A12KDM4EHPGDALDH1A1
SCHEMBL31632926 0.78 HCAR3 (0.46) HCAR3SLC22A12KDM4EHPGDALDH1A1

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
CN-115427035-B ENL/AF9 YEATS inhibitors 洛克菲勒大学 2025-04-22 — — CN disclosed
CN-115427035-A ENL/AF9YEATS inhibitors 洛克菲勒大学 2022-12-02 — — CN disclosed
EP-4076440-A1 INHIBITORS OF ENL/AF9 YEATS The Rockefeller University (US) 2022-10-26 — — EP disclosed
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