SCHEMBL20745991

SCHEMBL20745991

CCOc1cc2nc3c(c(Cl)c2cc1OCC)CCC3

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TP53 P04637 3/20 0.55
▸ POLB P06746 1/20 0.54
▸ GAA P10253 1/20 0.54
▸ TSHR P16473 1/20 0.54
▸ EHMT2 Q96KQ7 7/20 0.52
▸ ACHE P22303 1/20 0.50
▸ SMYD3 Q9H7B4 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 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
SCHEMBL31458840 1.00 TP53 (0.55) TP53POLBGAATSHREHMT2
SCHEMBL20746217 0.95 EHMT2 (0.59) TP53POLBGAATSHREHMT2
SCHEMBL25489690 0.86 ACHE (0.68) POLBGAATSHREHMT2ACHE
SCHEMBL22654166 0.85 EHMT2 (0.73) EHMT2ACHE
SCHEMBL30239190 0.85 EHMT2 (0.73) EHMT2ACHE
SCHEMBL20755403 0.85 EHMT2 (0.72) EHMT2ACHE
SCHEMBL31458727 0.84 ACHE (0.69) TP53EHMT2ACHEMAPT
SCHEMBL20745564 0.84 ACHE (0.69) TP53EHMT2ACHEMAPT
SCHEMBL20746263 0.82 EHMT2 (0.61) EHMT2ACHENPC1RAB9A
SCHEMBL30239309 0.82 EHMT2 (0.61) EHMT2ACHENPC1RAB9A

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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