SCHEMBL13619206

SCHEMBL13619206

CNNc1cc(Cl)ccc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 1/20 0.48
MEN1 O00255 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 7/20 0.45
MCL1 Q07820 1/20 0.44
IDO1 P14902 1/20 0.44
TP53 P04637 2/20 0.44
HCRTR1 O43613 1/20 0.44
HCRTR2 O43614 1/20 0.44
EPHX1 P07099 1/20 0.43
ALDH1A1 P00352 2/20 0.42
PDK1 Q15118 1/20 0.41
PDK2 Q15119 1/20 0.41
PDK3 Q15120 1/20 0.41
PDK4 Q16654 1/20 0.41
MAPT P10636 1/20 0.40
TSHR P16473 2/20 0.39
CYP3A4 P08684 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2681031 0.85 MEN1 (0.54) RAPGEF4MEN1POLBKMT2AGAA
SCHEMBL257705 0.82 LMNA (0.44) GAAMCL1TP53ALDH1A1PDK1
SCHEMBL1679559 0.81 RAPGEF4 (0.52) RAPGEF4MEN1POLBKMT2AGAA
SCHEMBL12847254 0.79 MCL1 (0.50) RAPGEF4MEN1POLBKMT2AGAA
Hydrochloric Acid SCHEMBL28204647 0.79 RAPGEF4 (0.50) RAPGEF4MEN1POLBKMT2AGAA
SCHEMBL13362224 0.74 KMT2A (0.45) MEN1KMT2AGAAALDH1A1MAPT
SCHEMBL11791959 0.72 ALDH1A1 (0.48) RAPGEF4MEN1POLBKMT2AGAA
SCHEMBL20984437 0.72 GAA (0.58) MEN1POLBKMT2AGAAHCRTR1
SCHEMBL1132624 0.71 IDO1 (0.57) RAPGEF4MEN1POLBKMT2AMCL1
SCHEMBL18800431 0.71 LMNA (0.43) MEN1KMT2AALDH1A1PDK1PDK2

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-2009140342-A1 GLUCAGON RECEPTOR ANTAGONISTS, COMPOSITIONS, AND METHODS FOR THEIR USE SCHERING CORPORATION (US) 2009-11-19 WO disclosed