SCHEMBL8829299

SCHEMBL8829299

CC(=O)c1ccn2ccncc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
MGLL Q99685 1/20 0.36
KMT2A Q03164 1/20 0.35
TSHR P16473 2/20 0.34
MAPK1 P28482 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
HASPIN Q8TF76 1/20 0.34
SIRT3 Q9NTG7 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
EPHB3 P54753 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KDM4E B2RXH2 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 1/20 0.33
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL8829243 0.84 KDM4C (0.43) MGLLKMT2ATDP1GAAMAPT
SCHEMBL3796726 0.82 SIRT3 (0.44) MGLLKMT2ATSHRSIRT3TDP1
SCHEMBL16468077 0.81 KDM4E (0.49) KMT2AMAPK1NPSR1GAAMAPT
SCHEMBL28945293 0.75 BRD4 (0.36) CYP3A4KMT2ATSHRMAPK1TDP1
SCHEMBL29056314 0.74 IDO1 (0.52) CYP3A4BAZ2BMGLLKMT2AMAPK1
Hydrochloric Acid SCHEMBL28792273 0.73 BRD4 (0.36) CYP3A4KMT2ATSHRMAPK1TDP1
SCHEMBL9231407 0.72 BAZ2B (0.41) BAZ2BGAAMAPTKDM4ELMNA
SCHEMBL17454538 0.71 EPHB3 (0.51) CYP3A4BAZ2BMGLLKMT2ATSHR
SCHEMBL5492666 0.71 GAA (0.35) CYP3A4KMT2ATDP1GAAMAPT
SCHEMBL26033630 0.70 TDP1 (0.53) CYP3A4KMT2ATSHRMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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