SCHEMBL21189459

SCHEMBL21189459

COc1ccc(B2OC(C)(C)C(C)(C)O2)cc1C(=O)N1CCCC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
GAA P10253 2/20 0.53
POLB P06746 1/20 0.52
HTT P42858 1/20 0.48
NPC1 O15118 5/20 0.46
HPGD P15428 4/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
RAB9A P51151 3/20 0.45
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL21177631 0.91 POLB (0.54) KMT2AMEN1GAAPOLBHTT
SCHEMBL21189731 0.91 POLB (0.53) KMT2AGAAPOLBHTTNPC1
SCHEMBL24745868 0.89 HPGD (0.56) KMT2AMEN1GAAPOLBHTT
SCHEMBL21812892 0.86 L3MBTL3 (0.44) KMT2AMEN1GAAPOLBHTT
SCHEMBL21177182 0.85 POLB (0.39) KMT2AMEN1GAAPOLBHTT
SCHEMBL21177386 0.84 RAB9A (0.41) KMT2AMEN1GAAPOLBHTT
SCHEMBL21177388 0.84 RAB9A (0.41) KMT2AMEN1GAAPOLBHTT
SCHEMBL21189725 0.84 KMT2A (0.50) KMT2AMEN1GAAPOLBHTT
SCHEMBL21189713 0.82 TSHR (0.46) KMT2AMEN1POLBNPC1HPGD
SCHEMBL12795963 0.81 TSHR (0.49) KMT2AMEN1POLBNPC1HPGD

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