SCHEMBL30405809

SCHEMBL30405809

COc1ccc(CN2CCOC(C)C2=O)c(OC)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 1/20 0.46
BTK Q06187 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HDAC3 O15379 1/20 0.45
HDAC4 P56524 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC7 Q8WUI4 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC11 Q96DB2 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
HDAC9 Q9UKV0 1/20 0.45
HDAC5 Q9UQL6 1/20 0.45
POLB P06746 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
TSHR P16473 3/20 0.44
KDM4E B2RXH2 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
SCHEMBL16466985 0.87 ALDH1A1 (0.48) ALDH1A1MAPTBTKKMT2AMEN1
SCHEMBL23084726 0.81 BTK (0.53) ALDH1A1MAPTBTKKMT2AMEN1
SCHEMBL21448744 0.81 BTK (0.53) ALDH1A1MAPTBTKKMT2AMEN1
SCHEMBL20347634 0.79 TACR1 (0.50) ALDH1A1MAPTBTKKMT2AMEN1
SCHEMBL13099512 0.78 BTK (0.53) ALDH1A1MAPTBTKKMT2AMEN1
SCHEMBL30672379 0.78 BTK (0.53) ALDH1A1MAPTBTKKMT2AMEN1
SCHEMBL15970021 0.76 MEN1 (0.46) ALDH1A1MAPTBTKKMT2AMEN1
SCHEMBL15970019 0.76 MEN1 (0.46) ALDH1A1MAPTBTKKMT2AMEN1
SCHEMBL23084817 0.76 ALDH1A1 (0.49) ALDH1A1MAPTBTKKMT2AMEN1
SCHEMBL27891265 0.76 TACR1 (0.49) ALDH1A1MAPTBTKKMT2AMEN1

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-4444300-A2 INHIBITORS OF MENIN-MLL INTERACTION Bala Therapeutics, Inc. (US) 2024-10-16 EP disclosed
WO-2023107696-A2 INHIBITORS OF MENIN-MLL INTERACTION BALA THERAPEUTICS, INC. (US) 2023-06-15 WO disclosed