SCHEMBL20232995

SCHEMBL20232995

COc1ccc(Cn2cnc3c(C)cc(-c4ccccc4)cc32)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
ALDH1A1 P00352 3/20 0.53
GAA P10253 1/20 0.53
NPY1R P25929 1/20 0.53
CYP11B1 P15538 2/20 0.52
CYP11B2 P19099 2/20 0.52
LMNA P02545 2/20 0.51
BRD4 O60885 2/20 0.49
HPGD P15428 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
QPCT Q16769 1/20 0.47
CSF1R P07333 1/20 0.47
PRMT5 O14744 1/20 0.46
WDR77 Q9BQA1 1/20 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
SCHEMBL13187054 0.75 MEN1 (1.00) L3MBTL1MEN1KMT2AALDH1A1GAA
SCHEMBL20232997 0.75 NPBWR1 (0.53) L3MBTL1ALDH1A1CYP11B1CYP11B2LMNA
SCHEMBL20233110 0.74 KAT6A (0.52) ALDH1A1GAANPY1RHTT
SCHEMBL15579167 0.74 KCNH2 (0.72) L3MBTL1MEN1KMT2AALDH1A1GAA
SCHEMBL23123003 0.74 L3MBTL1 (0.61) L3MBTL1MEN1KMT2AALDH1A1GAA
SCHEMBL30138392 0.73 HTT (0.72) ALDH1A1CYP11B1CYP11B2LMNABRD4
SCHEMBL12771538 0.73 HTT (0.72) ALDH1A1CYP11B1CYP11B2LMNABRD4
SCHEMBL13186730 0.73 MEN1 (0.77) L3MBTL1MEN1KMT2AALDH1A1GAA
SCHEMBL13560172 0.72 MEN1 (0.69) L3MBTL1MEN1KMT2AALDH1A1GAA
SCHEMBL13187201 0.72 MEN1 (0.69) L3MBTL1MEN1KMT2AALDH1A1GAA

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-2018102419-A1 COMPOUNDS CONTAINING A SULFONIC GROUP AS KAT INHIBITORS Epizyme, Inc. (US) 2018-06-07 WO disclosed