SCHEMBL17778680

SCHEMBL17778680

CCC(=O)Nc1nccc2[nH]cnc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 1/20 0.47
PARP1 P09874 1/20 0.38
CCNE1 P24864 1/20 0.37
CDK2 P24941 1/20 0.37
XDH P47989 1/20 0.37
HTR1F P30939 2/20 0.37
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR1E P28566 1/20 0.36
HTR6 P50406 1/20 0.36
HTR4 Q13639 1/20 0.36
KDM4E B2RXH2 3/20 0.35
MAPT P10636 1/20 0.35
CASP1 P29466 1/20 0.35
HTT P42858 1/20 0.35
CASP7 P55210 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL17776527 0.83 EGLN1 (0.50) EGLN1PARP1CCNE1CDK2KDM4E
SCHEMBL13667384 0.79 EGLN1 (0.44) EGLN1PARP1CCNE1CDK2KDM4E
SCHEMBL15753484 0.77 HPGDS (0.47) CDK2JAK2TYK2
SCHEMBL13667390 0.76 ATR (0.42) EGLN1PARP1CCNE1CDK2MAPT
SCHEMBL17778780 0.76 XDH (0.42) XDHKDM4EMAPTCASP1HTT
SCHEMBL11023230 0.75 BRD4 (0.52) EGLN1HTTJAK2TYK2ATM
SCHEMBL19706509 0.74 EGLN1 (0.45) EGLN1PARP1CCNE1CDK2KDM4E
SCHEMBL13667383 0.73 BRD4 (0.57) MAPTALDH1A1PKM
SCHEMBL13667382 0.72 POLB (0.50) EGLN1MAPTHSD17B10ALDH1A1
SCHEMBL3133619 0.71 EGLN1 (0.42) EGLN1PARP1CCNE1CDK2KDM4E

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-2016079709-A1 SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-05-26 WO disclosed