SCHEMBL16618386

SCHEMBL16618386

Cn1cc(CC(=O)c2ccccc2)nn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.47
BRD4 O60885 3/20 0.45
SRC P12931 2/20 0.45
MGAM O43451 2/20 0.43
AMY1A P0DUB6 2/20 0.43
GAA P10253 2/20 0.43
SI P14410 2/20 0.43
MGAM2 Q2M2H8 2/20 0.43
KDM4E B2RXH2 3/20 0.41
GLA P06280 1/20 0.41
HSD11B1 P28845 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
ALOX15 P16050 1/20 0.41
CES1 P23141 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
Hydrochloric Acid SCHEMBL16616453 0.98 HPGD (0.46) HPGDBRD4SRCMGAMAMY1A
SCHEMBL9914065 0.79 BRD4 (0.39) BRD4KDM4ETDP1KDM4AKDM5C
SCHEMBL22276769 0.77 MIF (0.62) HPGDBRD4GAAKDM4EMEN1
SCHEMBL17122469 0.71 MIF (0.40) HPGDBRD4KDM4ETSHRMEN1
SCHEMBL19296375 0.71 CYP1A2 (0.41) BRD4KDM4EGLATSHRKDM4A
SCHEMBL1449524 0.71 HPGD (0.66) HPGDMGAMAMY1AGAASI
SCHEMBL1449523 0.71 HSD11B1 (0.49) HPGDMGAMAMY1AGAASI
SCHEMBL9914071 0.70 MAOA (0.54) BRD4MAPK1
SCHEMBL6133984 0.70 PKM (0.43) HPGDKDM4EGLATSHRMEN1
SCHEMBL11636011 0.70 KDM4E (0.55) HPGDKDM4EGLATSHRMEN1

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-2015051258-A1 CROSSLINK BREAKERS FOR PRESERVATION OF BIOLOGICAL SUBSTANCES SPIEGEL DAVID (US) 2015-04-09 WO disclosed