SCHEMBL21189725

SCHEMBL21189725

Cc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
HPGD P15428 5/20 0.46
HTT P42858 1/20 0.44
TSHR P16473 3/20 0.41
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ROCK1 Q13464 1/20 0.41
GAA P10253 1/20 0.40
PLA2G7 Q13093 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ALDH1A1 P00352 2/20 0.39
LMNA P02545 1/20 0.39
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL14880763 0.90 KMT2A (0.40) KMT2AMEN1HPGDHTTROCK1
SCHEMBL2798855 0.90 HPGD (0.46) KMT2AMEN1HPGDHTTTSHR
SCHEMBL21189713 0.86 TSHR (0.46) KMT2AMEN1HPGDTSHRROCK1
SCHEMBL12795963 0.85 TSHR (0.49) KMT2AMEN1HPGDTSHRROCK1
SCHEMBL24340135 0.84 HSP90AA1 (0.43) KMT2AMEN1HPGDTSHRROCK1
SCHEMBL21177333 0.84 ROCK1 (0.38) KMT2AMEN1HPGDHTTL3MBTL3
SCHEMBL21189459 0.84 KMT2A (0.53) KMT2AMEN1HPGDHTTTSHR
SCHEMBL21177377 0.83 RAB9A (0.42) KMT2AMEN1L3MBTL3L3MBTL1ROCK1
SCHEMBL21177379 0.83 RAB9A (0.42) KMT2AMEN1L3MBTL3L3MBTL1ROCK1
SCHEMBL24745868 0.80 HPGD (0.56) KMT2AMEN1HPGDHTTTSHR

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-2019141694-A1 PI4KIIIBETA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-07-25 WO disclosed