SCHEMBL20745998

SCHEMBL20745998

COc1cc2nc3c(c(Cl)c2cc1OC(=O)Oc1cc2c(Cl)c4c(nc2cc1OC)CCC4)CCC3

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.57
▸ TP53 P04637 4/20 0.53
▸ EHMT2 Q96KQ7 8/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ POLB P06746 1/20 0.52
▸ MAPT P10636 3/20 0.50
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ APP P05067 1/20 0.49
▸ BCHE P06276 1/20 0.49
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL20745999 0.92 ACHE (0.56) ACHETP53EHMT2SMN1; SMN2POLB
SCHEMBL20745788 0.91 EHMT2 (0.54) ACHETP53EHMT2SMN1; SMN2POLB
SCHEMBL20745736 0.91 EHMT2 (0.54) ACHETP53EHMT2SMN1; SMN2POLB
SCHEMBL31458727 0.90 ACHE (0.69) ACHETP53EHMT2MAPTAPP
SCHEMBL20745564 0.90 ACHE (0.69) ACHETP53EHMT2MAPTAPP
SCHEMBL20745971 0.87 ACHE (0.74) ACHETP53EHMT2SMN1; SMN2MAPT
SCHEMBL20756932 0.86 ACHE (0.72) ACHETP53EHMT2SMN1; SMN2MAPT
SCHEMBL25489623 0.83 ACHE (0.57) ACHETP53EHMT2SMN1; SMN2POLB
SCHEMBL20745712 0.82 ACHE (0.56) ACHETP53EHMT2SMN1; SMN2POLB
SCHEMBL20745874 0.82 ACHE (0.56) ACHETP53EHMT2SMN1; SMN2POLB

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-3668863-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS Global Blood Therapeutics, Inc. (US) 2020-06-24 — — EP disclosed
WO-2019036377-A1 TRICYCLIC COMPOUNDS AS HISTONE METHYL-TRANSFERASE INHIBITORS GLOBAL BLOOD THERAPEUTICS, INC. (US) 2019-02-21 — — WO disclosed
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