SCHEMBL26190920

SCHEMBL26190920

CC(C)(C)OC(=O)Nc1cccc(Oc2ccc(Br)cc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.47
▸ HDAC3 O15379 1/20 0.46
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC2 Q92769 1/20 0.46
▸ HDAC8 Q9BY41 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ BCL2 P10415 1/20 0.46
▸ BECN1 Q14457 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ MITF O75030 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CDK8 P49336 1/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.44
▸ RAB9A P51151 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ KMT2A Q03164 2/20 0.44

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
SCHEMBL12330773 0.88 CDK8 (0.51) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL31483499 0.86 ALDH1A1 (0.52) BCL2BECN1ALDH1A1SMN1; SMN2RAB9A
SCHEMBL19853243 0.85 MTNR1B (0.58) ALDH1A1POLBSMN1; SMN2RAB9AHPGD
SCHEMBL10269469 0.85 CA1 (0.45) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL10269053 0.85 MITF (0.44) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL29730783 0.83 RAB9A (0.48) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL29895464 0.82 GAA (0.55) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL1400198 0.82 GAA (0.55) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL25128584 0.81 HDAC3 (0.48) MAPTHDAC3HDAC1HDAC2HDAC8
SCHEMBL20995657 0.80 ALDH1A1 (0.56) MAPTHDAC3HDAC1HDAC2HDAC8

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-3481831-B1 4-AMINOPYRAZOLO[3,4-D]PYRIMIDINYLAZABICYCLO DERIVATIVES AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DAEWOONG PHARMACEUTICAL CO LTD (KR) 2023-09-06 — — EP disclosed
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