SCHEMBL885704

SCHEMBL885704

Cc1c(Cc2ccccc2)c2c(OCc3ccc(F)cc3)nccc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.39
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
ALDH1A1 P00352 5/20 0.37
KMT2A Q03164 4/20 0.37
MEN1 O00255 3/20 0.37
CYP1A2 P05177 2/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK14 Q16539 2/20 0.36
LMNA P02545 2/20 0.36
HTT P42858 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
STAT3 P40763 1/20 0.36
CNR1 P21554 4/20 0.35
CNR2 P34972 4/20 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
Hydrochloric Acid SCHEMBL441950 0.99 SMN1; SMN2 (0.39) SMN1; SMN2ATP4AATP4BALDH1A1KMT2A
SCHEMBL885589 0.89 NPSR1 (0.40) SMN1; SMN2ATP4AATP4BALDH1A1KMT2A
Hydrochloric Acid SCHEMBL436656 0.88 NPSR1 (0.39) SMN1; SMN2ATP4AATP4BALDH1A1KMT2A
SCHEMBL2316431 0.79 TP53 (0.46) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
Hydrochloric Acid SCHEMBL438527 0.78 TP53 (0.45) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL437304 0.76 PTGS1 (0.39) SMN1; SMN2ALDH1A1MAPK14LMNAHTT
Hydrochloric Acid SCHEMBL436260 0.76 PTGS1 (0.38) SMN1; SMN2ALDH1A1MAPK14LMNAHTT
SCHEMBL885515 0.68 LRRK2 (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL5806352 0.67 CYP1A2 (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2
SCHEMBL5808755 0.67 CYP1A2 (0.48) SMN1; SMN2ALDH1A1KMT2AMEN1CYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784402-B1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2011-08-03 EP claimed
EP-1784402-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP claimed
WO-2006025714-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed
EP-1784402-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-05-16 EP disclosed
WO-2006025714-A1 PYRROLO[3,2-c]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed