SCHEMBL4694718

SCHEMBL4694718

CN(C(=O)O)c1nccc2[nH]cnc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.46
PARP1 P09874 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PKM P14618 1/20 0.39
KDM4A O75164 1/20 0.36
KDM4B O94953 1/20 0.36
KDM5C P41229 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
MMP12 P39900 1/20 0.35
LMNA P02545 2/20 0.33
MEN1 O00255 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
KDM4E B2RXH2 2/20 0.32
DRD1 P21728 1/20 0.32
AURKA O14965 1/20 0.31

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
SCHEMBL13667388 0.76 EGLN1 (0.41) EGLN1PARP1ALDH1A1PKMKDM4A
SCHEMBL13667389 0.75 EGLN1 (0.43) EGLN1PARP1ALDH1A1MMP12KMT2A
SCHEMBL13667386 0.73 EGLN1 (0.39) EGLN1PARP1ALDH1A1PKMMMP12
SCHEMBL4791037 0.71 EGLN1 (0.63) EGLN1PARP1ALDH1A1PKMMMP12
SCHEMBL6095297 0.71 LMNA (0.46) EGLN1ALDH1A1PKMKDM4AKDM4B
SCHEMBL13667385 0.70 NPC1 (0.43) EGLN1PARP1MMP12POLBKMT2A
SCHEMBL2788461 0.67 PARP1 (0.44) EGLN1PARP1ALDH1A1PKMKDM4A
SCHEMBL22533810 0.67 EGLN1 (0.57) EGLN1PARP1ALDH1A1PKMMMP12
SCHEMBL4910686 0.67 EGLN1 (0.57) EGLN1PARP1ALDH1A1PKMKDM5C
SCHEMBL17776527 0.67 EGLN1 (0.50) EGLN1PARP1MMP12MEN1POLB

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
EP-1888584-A1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY Brystol-Myers Squibb Company (US) 2008-02-20 EP disclosed
WO-2006122137-A1 1, 6 -DIHYDRO- 1,3, 5, 6-TETRAAZA-AS-INDACENE BASED TRICYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS COMPRISING SAME AS INHIBITORS OF IKK ENZYME ACTIVITY BRISTOL-MYERS SQUIBB COMPANY (US) 2006-11-16 WO disclosed