SCHEMBL31016459

SCHEMBL31016459

CCCN1CCC(Nc2nc(C#N)nc3cc(OCCCN4CCCC4)c(OC)cc23)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 19/20 1.00
EHMT2 Q96KQ7 12/20 1.00
PRMT1 Q99873 1/20 0.82
EHMT1 Q9H9B1 1/20 0.82
CARM1 Q86X55 1/20 0.71

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
SCHEMBL31016460 0.91 NSD2 (1.00) NSD2EHMT2PRMT1EHMT1
SCHEMBL25226192 0.90 NSD2 (1.00) NSD2EHMT2PRMT1EHMT1CARM1
SCHEMBL25198563 0.88 NSD2 (0.81) NSD2EHMT2PRMT1EHMT1CARM1
SCHEMBL31016436 0.87 EHMT2 (0.77) NSD2EHMT2PRMT1EHMT1
SCHEMBL21178846 0.86 EHMT2 (0.76) NSD2EHMT2PRMT1EHMT1
SCHEMBL25266375 0.85 NSD2 (0.79) NSD2EHMT2PRMT1EHMT1CARM1
SCHEMBL19462237 0.85 EHMT2 (0.82) NSD2EHMT2EHMT1
SCHEMBL25202661 0.85 NSD2 (0.78) NSD2EHMT2PRMT1EHMT1CARM1
SCHEMBL31016450 0.83 NSD2 (1.00) NSD2EHMT2PRMT1EHMT1CARM1
SCHEMBL21178812 0.81 EHMT2 (0.85) NSD2EHMT2EHMT1

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
CN-118373805-A NSD2 small molecule inhibitor and preparation method and application thereof 中山大学 2024-07-23 CN disclosed