SCHEMBL24901706

SCHEMBL24901706

COc1cc(Br)ccc1OCCO[Si](C)(C)C(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 3/20 0.41
L3MBTL1 Q9Y468 8/20 0.40
MAPT P10636 8/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
THRB P10828 1/20 0.39
HPGD P15428 4/20 0.39
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
CYP1A2 P05177 1/20 0.39
TDP1 Q9NUW8 3/20 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
SCHEMBL31096271 0.94 MAPT (0.39) L3MBTL1MAPTSMN1; SMN2THRBHPGD
SCHEMBL21823579 0.94 MAPT (0.39) L3MBTL1MAPTSMN1; SMN2THRBHPGD
SCHEMBL30967302 0.93 HPGD (0.39) MAPTHPGDMEN1ALDH1A1KMT2A
SCHEMBL30967300 0.93 HPGD (0.39) MAPTHPGDMEN1ALDH1A1KMT2A
SCHEMBL31096108 0.87 MAPT (0.42) L3MBTL1MAPTSMN1; SMN2THRBHPGD
SCHEMBL21823391 0.87 MAPT (0.42) L3MBTL1MAPTSMN1; SMN2THRBHPGD
SCHEMBL5240512 0.83 ALDH1A1 (0.39) L3MBTL1MAPTSMN1; SMN2HPGDCYP2C9
SCHEMBL28431670 0.81 HPGD (0.37) MAPTSMN1; SMN2HPGDMEN1ALDH1A1
SCHEMBL3365594 0.81 PTGDR2 (0.51) FDPSL3MBTL1MAPTSMN1; SMN2HPGD
SCHEMBL22234089 0.80 PYCR1 (0.41) MAPTSMN1; SMN2THRBPOLBALDH1A1

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-2023286768-A1 HYDROGENATED QUINOXALINES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 WO disclosed