SCHEMBL5806689

SCHEMBL5806689

Cc1cc2ccnc(OCc3ccc(F)cc3)c2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.42
LMNA P02545 2/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
STAT3 P40763 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CNR1 P21554 1/20 0.40
CNR2 P34972 1/20 0.40
MAPK14 Q16539 4/20 0.39
MAPK13 O15264 1/20 0.39
MAPK12 P53778 1/20 0.39
MAPK11 Q15759 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
GCGR P47871 1/20 0.39
MGMT P16455 2/20 0.39
PKM P14618 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
Hydrochloric Acid SCHEMBL5806738 0.99 MPO (0.41) MPOLMNAPOLBMAPTSTAT3
SCHEMBL5809748 0.76 CNR1 (0.40) MPOLMNAPOLBMAPTSTAT3
Hydrochloric Acid SCHEMBL5811001 0.75 CNR1 (0.39) MPOLMNAPOLBMAPTSTAT3
SCHEMBL7217640 0.75 AXL (0.40) MAPTSMN1; SMN2MEN1KMT2AKDM4E
SCHEMBL1736773 0.73 BCHE (0.48) MAPK14MAPK13MAPK12MAPK11GCGR
SCHEMBL5806206 0.71 MAPK14 (0.41) MPOLMNAPOLBMAPTSTAT3
Hydrochloric Acid SCHEMBL5806341 0.70 MAPK14 (0.40) MPOLMNAPOLBMAPTSTAT3
SCHEMBL9377277 0.69 LMNA (0.38) LMNAPOLBMAPTSTAT3HTT
SCHEMBL5809226 0.67 MAPK14 (0.38) MPOLMNAPOLBMAPTSTAT3
SCHEMBL5807360 0.67 LMNA (0.38) MPOLMNAPOLBMAPTSTAT3

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-2006025717-A1 PYRROLO[2,3-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed