SCHEMBL30041666

SCHEMBL30041666

Cn1nc(C(F)F)c2ccc(C(=O)O)cc21

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HCAR3 P49019 3/20 0.43
▸ SLC22A12 Q96S37 7/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ PTGER4 P35408 4/20 0.40
▸ HDAC8 Q9BY41 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ HCAR2 Q8TDS4 1/20 0.38
▸ SCN9A Q15858 1/20 0.37
▸ RORC P51449 1/20 0.37
▸ PTGER2 P43116 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
SCHEMBL23535833 1.00 HCAR3 (0.43) HCAR3SLC22A12KDM4EPTGER4HDAC8
SCHEMBL30147683 0.88 HCAR3 (0.47) HCAR3KDM4EPTGER4HPGDHCAR2
SCHEMBL29301506 0.88 HCAR3 (0.47) HCAR3KDM4EPTGER4HPGDHCAR2
SCHEMBL30040757 0.85 ALDH1A1 (0.40) KDM4EHPGDSCN9A
SCHEMBL23535685 0.85 ALDH1A1 (0.40) KDM4EHPGDSCN9A
SCHEMBL29241328 0.80 HCAR3 (0.46) HCAR3SLC22A12KDM4EHPGDSCN9A
SCHEMBL30204438 0.80 HCAR3 (0.46) HCAR3SLC22A12KDM4EHPGDSCN9A
SCHEMBL17785249 0.78 HCAR3 (0.47) HCAR3SLC22A12KDM4EHPGD
SCHEMBL4509480 0.78 SLC22A12 (0.57) HCAR3SLC22A12KDM4E
SCHEMBL30040324 0.78 SLC22A12 (0.57) HCAR3SLC22A12KDM4E

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 4 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
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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