SCHEMBL30967523

SCHEMBL30967523

[2H]C([2H])(Nc1nccc2ccc(-c3noc(C)n3)cc12)C([2H])([2H])N1CCn2c(cc3c(OCC(F)(F)F)nccc32)C1=O

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.31
▸ HDAC1 Q13547 1/20 0.31
▸ HDAC8 Q9BY41 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ CACNA2D1 P54289 1/20 0.30

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
SCHEMBL30967538 0.90 CACNA2D1 (0.32) STAT3HDAC1HDAC8HDAC6CACNA2D1
SCHEMBL30967472 0.88 — —
SCHEMBL30967492 0.85 HDAC1 (0.31) HDAC1HDAC8HDAC6CACNA2D1
SCHEMBL30967660 0.85 HDAC1 (0.31) HDAC1HDAC8HDAC6
SCHEMBL30967622 0.85 HDAC1 (0.31) HDAC1HDAC8HDAC6
SCHEMBL30967475 0.85 DRD3 (0.39) STAT3HDAC1HDAC8HDAC6
SCHEMBL30967641 0.83 KIFC1 (0.31) —
SCHEMBL30967470 0.82 CYP1A2 (0.39) —
SCHEMBL30967560 0.81 SCARB1 (0.34) CACNA2D1
SCHEMBL30967584 0.81 SCARB1 (0.35) CACNA2D1

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
EP-4615838-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS Merck Patent GmbH (DE) 2025-09-17 — — EP disclosed
WO-2024099898-A1 SUBSTITUTED BI-AND TRICYCLIC HSET INHIBITORS MERCK PATENT GMBH (DE) 2024-05-16 — — WO disclosed
Send feedback