SCHEMBL24428933

SCHEMBL24428933

COc1cc2c(cc1OCCCN1CCC(F)C1)N=C(N)C21CCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EHMT2 Q96KQ7 17/20 1.00
SPIN1 Q9Y657 9/20 0.77
EHMT1 Q9H9B1 1/20 0.77

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
SCHEMBL17106569 1.00 EHMT2 (1.00) EHMT2SPIN1EHMT1
SCHEMBL17106573 1.00 EHMT2 (1.00) EHMT2SPIN1EHMT1
SCHEMBL17106566 0.93 EHMT2 (1.00) EHMT2SPIN1EHMT1
SCHEMBL25609625 0.91 EHMT2 (0.83) EHMT2SPIN1EHMT1
SCHEMBL25609623 0.91 EHMT2 (0.83) EHMT2SPIN1EHMT1
SCHEMBL20028668 0.90 EHMT2 (0.81) EHMT2SPIN1EHMT1
SCHEMBL20028664 0.90 EHMT2 (0.81) EHMT2SPIN1EHMT1
SCHEMBL20028345 0.87 EHMT2 (1.00) EHMT2SPIN1EHMT1
SCHEMBL30051800 0.87 EHMT2 (1.00) EHMT2SPIN1EHMT1
SCHEMBL20028041 0.87 EHMT2 (0.96) EHMT2SPIN1EHMT1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3519393-B1 SUBSTITUTED FUSED BI- OR TRI- HETEROCYCLIC COMPOUNDS AS EHMT2 INHIBITORS EPIZYME INC (US) 2022-05-18 EP disclosed