SCHEMBL30040748

SCHEMBL30040748

COC(=O)c1ccc2c(N(C)C)nn(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.41
▸ HPGD P15428 4/20 0.41
▸ KDM4E B2RXH2 4/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ GLA P06280 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ CA12 O43570 1/20 0.41
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA7 P43166 1/20 0.41
▸ XDH P47989 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CA14 Q9ULX7 1/20 0.41
▸ LCK P06239 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ JMJD6 Q6NYC1 1/20 0.40

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
SCHEMBL23535848 1.00 ALDH1A1 (0.41) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL30039575 0.84 HCAR3 (0.44) ALDH1A1HPGDKDM4E
SCHEMBL23535847 0.84 HCAR3 (0.44) ALDH1A1HPGDKDM4E
SCHEMBL23535765 0.83 NOTUM (0.40) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL30159691 0.83 NOTUM (0.40) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL23559707 0.81 ADORA2A (0.47) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL24338456 0.80 GLA (0.44) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL7426182 0.80 ALDH1A1 (0.43) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL24337979 0.80 CA12 (0.46) ALDH1A1HPGDKDM4EHSD17B10GLA
SCHEMBL23559702 0.80 KDM4E (0.50) ALDH1A1HPGDKDM4EHSD17B10GLA

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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