SCHEMBL885589

SCHEMBL885589

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.40
HRH4 Q9H3N8 2/20 0.39
HTR6 P50406 1/20 0.39
ATP4A P20648 1/20 0.38
ATP4B P51164 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
ALDH1A1 P00352 3/20 0.37
LMNA P02545 2/20 0.37
CYP1A2 P05177 2/20 0.37
USP2 O75604 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KMT2A Q03164 5/20 0.37
NPC1 O15118 3/20 0.37
MEN1 O00255 2/20 0.37
RAB9A P51151 1/20 0.37

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 SCHEMBL436656 0.99 NPSR1 (0.39) NPSR1HRH4HTR6ATP4AATP4B
SCHEMBL885704 0.89 SMN1; SMN2 (0.39) ATP4AATP4BALDH1A1LMNACYP1A2
Hydrochloric Acid SCHEMBL441950 0.88 SMN1; SMN2 (0.39) ATP4AATP4BALDH1A1LMNACYP1A2
SCHEMBL885515 0.79 LRRK2 (0.48) ALDH1A1LMNACYP1A2KMT2ANPC1
Hydrochloric Acid SCHEMBL441851 0.78 LRRK2 (0.47) ALDH1A1LMNACYP1A2KMT2ANPC1
SCHEMBL436775 0.76 HTR6 (0.42) NPSR1HRH4HTR6GABRA1GABRG2
Hydrochloric Acid SCHEMBL439183 0.76 HTR6 (0.41) NPSR1HTR6GABRA1GABRG2GABRB3
SCHEMBL5806438 0.68 DYRK1A (0.46) NPSR1HRH4HTR6ATP4AATP4B
SCHEMBL2316431 0.68 TP53 (0.46) ALDH1A1LMNACYP1A2HSD17B10KMT2A
Hydrochloric Acid SCHEMBL5810962 0.67 DYRK1A (0.45) NPSR1HRH4HTR6ATP4AATP4B

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