SCHEMBL30448630

SCHEMBL30448630

COc1cc2c(cc1OCCCN1CCCC1)oc1ccnc(OC3CCNC3)c12

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ EHMT2 Q96KQ7 18/20 0.48
▸ EHMT1 Q9H9B1 10/20 0.48
▸ DNMT1 P26358 7/20 0.48
▸ NSD2 O96028 1/20 0.46

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
SCHEMBL23784392 1.00 EHMT2 (0.48) EHMT2EHMT1DNMT1NSD2
SCHEMBL23784372 0.86 EHMT2 (0.48) EHMT2EHMT1DNMT1NSD2
SCHEMBL20581132 0.86 EHMT2 (0.47) EHMT2EHMT1DNMT1NSD2
Trifluoroacetic Acid SCHEMBL20581322 0.80 EHMT2 (0.45) EHMT2EHMT1DNMT1NSD2
SCHEMBL20581827 0.75 EHMT2 (0.48) EHMT2EHMT1DNMT1
SCHEMBL20580549 0.74 EHMT2 (0.49) EHMT2EHMT1DNMT1
SCHEMBL23784361 0.71 EHMT2 (0.57) EHMT2EHMT1
SCHEMBL23029678 0.71 EHMT2 (0.71) EHMT2EHMT1DNMT1NSD2
Hydrochloric Acid SCHEMBL20581014 0.71 EHMT2 (0.56) EHMT2EHMT1
SCHEMBL20581091 0.70 EHMT2 (0.53) EHMT2EHMT1DNMT1

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-3634962-B1 AZAINDOLE COMPOUNDS AS HISTONE METHYLTRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS INC (US) 2023-05-24 — — EP disclosed
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