SCHEMBL30159691

SCHEMBL30159691

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.40
▸ BRD4 O60885 2/20 0.36
▸ RAB9A P51151 3/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ HPGD P15428 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ KIF11 P52732 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ GLA P06280 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NPC1 O15118 2/20 0.34
▸ LCK P06239 1/20 0.34
▸ JMJD6 Q6NYC1 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ CA12 O43570 1/20 0.34

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
SCHEMBL23535765 1.00 NOTUM (0.40) NOTUMBRD4RAB9AALDH1A1HPGD
SCHEMBL30159550 0.88 HCAR3 (0.36) BRD4KDM4ESCN9A
SCHEMBL23535658 0.88 HCAR3 (0.36) BRD4KDM4ESCN9A
SCHEMBL30204313 0.83 ALDH1A1 (0.38) BRD4RAB9AALDH1A1HPGDKDM4E
SCHEMBL23535848 0.83 ALDH1A1 (0.41) NOTUMALDH1A1HPGDSMN1; SMN2KIF11
SCHEMBL30040748 0.83 ALDH1A1 (0.41) NOTUMALDH1A1HPGDSMN1; SMN2KIF11
SCHEMBL23535717 0.77 BRD4 (0.43) BRD4RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL30159531 0.77 BRD4 (0.43) BRD4RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL23559619 0.76 MAP2K4 (0.37) BRD4RAB9AALDH1A1HPGDSMN1; SMN2
SCHEMBL15081349 0.75 BRD4 (0.36) BRD4

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