SCHEMBL8936135

SCHEMBL8936135

C[C@H]1C[C@@H](O)CN1Cc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.73
PDK1 Q15118 1/20 0.47
PDK2 Q15119 1/20 0.47
PDK3 Q15120 1/20 0.47
PDK4 Q16654 1/20 0.47
FUCA1 P04066 2/20 0.46
ALDH1A1 P00352 1/20 0.45
SIGMAR1 Q99720 1/20 0.44
KDM4E B2RXH2 1/20 0.43
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
SCHEMBL4130506 1.00 MAPT (0.73) MAPTPDK1PDK2PDK3PDK4
SCHEMBL16025066 1.00 MAPT (0.73) MAPTPDK1PDK2PDK3PDK4
SCHEMBL28513094 1.00 MAPT (0.73) MAPTPDK1PDK2PDK3PDK4
SCHEMBL28498890 1.00 MAPT (0.73) MAPTPDK1PDK2PDK3PDK4
SCHEMBL23564402 0.85 MAPT (1.00) MAPTPDK1PDK2PDK3PDK4
SCHEMBL23527228 0.85 MAPT (1.00) MAPTPDK1PDK2PDK3PDK4
SCHEMBL15694857 0.85 MAPT (0.62) MAPTPDK1PDK2PDK3PDK4
SCHEMBL23564629 0.85 MAPT (1.00) MAPTPDK1PDK2PDK3PDK4
SCHEMBL2292294 0.85 MAPT (0.62) MAPTPDK1PDK2PDK3PDK4
SCHEMBL23564320 0.85 MAPT (1.00) MAPTPDK1PDK2PDK3PDK4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678859-B Dihydropyrimidine compound and application thereof in medicine 广东东阳光药业有限公司 2020-12-29 CN disclosed
EP-0659178-A4 CHIRAL QUINOLONE INTERMEDIATES. ABBOTT LAB (US) 1996-03-27 EP disclosed
EP-0659178-A1 CHIRAL QUINOLONE INTERMEDIATES ABBOTT LABORATORIES (US) 1995-06-28 EP disclosed
WO-1994006766-A1 CHIRAL QUINOLONE INTERMEDIATES ABBOTT LABORATORIES (US) 1994-03-31 WO disclosed
US-5252747-A Chiral quinolone intermediates ABBOTT LABORATORIES (US) 1993-10-12 US disclosed