SCHEMBL25337245

SCHEMBL25337245

CCOC(=O)N1CCC2(CC1)Oc1ccc(Br)cc1O2.Oc1ccc(Br)cc1O

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 14/20 0.49
KMT2A Q03164 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 2/20 0.42
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
HDAC9 Q9UKV0 2/20 0.41
HDAC5 Q9UQL6 2/20 0.41

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
SCHEMBL5917702 0.93 KMT2A (0.50) IDO1KMT2AL3MBTL1ALDH1A1HDAC3
SCHEMBL4221454 0.79 ALPG (0.51) KMT2AL3MBTL1ALDH1A1
SCHEMBL5812872 0.79 FAAH (0.57) IDO1KMT2AL3MBTL1ALDH1A1HDAC3
SCHEMBL7435969 0.78 L3MBTL1 (0.51) KMT2AL3MBTL1ALDH1A1
SCHEMBL20270062 0.77 FAAH (0.46) IDO1KMT2AL3MBTL1ALDH1A1HDAC3
SCHEMBL8260350 0.76 FAAH (0.44) KMT2AL3MBTL1ALDH1A1
SCHEMBL30514942 0.75 KMT2A (0.46) KMT2AL3MBTL1ALDH1A1HDAC3HDAC4
SCHEMBL25335749 0.75 KMT2A (0.46) KMT2AL3MBTL1ALDH1A1HDAC3HDAC4
SCHEMBL1175533 0.72 KMT2A (0.82) IDO1KMT2AALDH1A1HDAC3HDAC4
SCHEMBL5917726 0.72 KMT2A (0.44) IDO1KMT2AL3MBTL1ALDH1A1

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
WO-2023146989-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed