SCHEMBL8829293

SCHEMBL8829293

Clc1ccc2cnccn12

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.37
MAPT P10636 3/20 0.37
KDM4E B2RXH2 2/20 0.37
BRAF P15056 2/20 0.34
NOTUM Q6P988 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2A6 P11509 1/20 0.31
ALDH1A1 P00352 2/20 0.30
CYP19A1 P11511 1/20 0.30
HPGD P15428 1/20 0.30
GFER P55789 1/20 0.30
MEN1 O00255 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8829169 0.74 GAA (0.37) GAAMAPTKDM4ECYP3A4CYP2A6
SCHEMBL19154274 0.74 PRKCI (0.34) GAAMAPTKDM4EBRAFCYP3A4
SCHEMBL3157214 0.69 TBXAS1 (0.35) GAAMAPTKDM4E
SCHEMBL20689845 0.69 SSTR4 (0.32)
SCHEMBL21388621 0.69 CA12 (0.30)
SCHEMBL27549227 0.68 CYP2A6 (0.35) CYP3A4CYP2A6ALDH1A1
SCHEMBL7421140 0.68 ALDH1A1 (0.37) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL8829357 0.67 IDO1 (0.33) GAAMAPTKDM4EALDH1A1
SCHEMBL31565029 0.67 SIRT3 (0.39) GAAMAPTKDM4EALDH1A1MEN1
SCHEMBL16376209 0.67 ADORA3 (0.36) GAAMAPTKDM4ECYP3A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1169431-A Novel cephalosporin derivatives and processes for preparation thereof YUHAN CORP (KR) 1998-01-07 CN disclosed
US-5593984-A Cephalosporin derivatives YUHAN CORPORATION (KR) 1997-01-14 US disclosed
WO-1994007898-A1 NOVEL CEPHALOSPORIN DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 1994-04-14 WO disclosed