SCHEMBL20028301

SCHEMBL20028301

CC1=CC(C)(C#N)C=CC=C1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL14473310 0.80
SCHEMBL21256950 0.78
SCHEMBL11597180 0.70
SCHEMBL22811408 0.69
SCHEMBL18569653 0.67
SCHEMBL12346085 0.65 CYP3A4 (0.34)
SCHEMBL21939948 0.64
Hydrochloric Acid SCHEMBL2230188 0.62
SCHEMBL6440078 0.62
SCHEMBL12354406 0.60

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
EP-4105203-A1 SPIRO-CONDENSED INDOLE COMPOUNDS AS EHMT2 INHIBITORS Epizyme Inc (US) 2022-12-21 EP disclosed
EP-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed
WO-2018064557-A1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS Epizyme, Inc. (US) 2018-04-05 WO disclosed