SCHEMBL2769739

SCHEMBL2769739

Cc1c(C)n(Cc2ccccc2)c2c(OCc3ccc(Cl)cc3)cncc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.43
AOC3 Q16853 1/20 0.42
MAPT P10636 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
HTT P42858 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
FABP4 P15090 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
CSF1R P07333 1/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 4/20 0.39
NR2F2 P24468 1/20 0.39
MAPK14 Q16539 1/20 0.39
TP53 P04637 1/20 0.39
HIF1A Q16665 1/20 0.38
DYRK1A Q13627 1/20 0.38
ALDH1A1 P00352 1/20 0.38
ATM Q13315 1/20 0.38

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 SCHEMBL2769070 0.99 AOC3 (0.44) NPSR1AOC3MAPTL3MBTL1HTT
SCHEMBL2773365 0.90 CYP1A2 (0.45) AOC3MAPTL3MBTL1HTTSMN1; SMN2
Hydrochloric Acid SCHEMBL2769479 0.89 ALDH1A1 (0.45) AOC3MAPTL3MBTL1HTTSMN1; SMN2
SCHEMBL2770144 0.85 CYP1A2 (0.47) MAPTL3MBTL1HTTSMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL2769085 0.84 CYP1A2 (0.47) AOC3MAPTL3MBTL1HTTSMN1; SMN2
SCHEMBL2769471 0.82 CYP1A2 (0.45) MAPTL3MBTL1HTTSMN1; SMN2LMNA
SCHEMBL2771493 0.81 MAPT (0.43) MAPTHTTSMN1; SMN2LMNAKMT2A
Hydrochloric Acid SCHEMBL2771198 0.81 CYP1A2 (0.45) MAPTL3MBTL1HTTSMN1; SMN2LMNA
SCHEMBL2770150 0.81 MAPK14 (0.44) MAPTHTTSMN1; SMN2LMNACSF1R
Hydrochloric Acid SCHEMBL2769402 0.80 MAPT (0.42) MAPTHTTSMN1; SMN2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805177-B9 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2010-09-15 EP claimed
EP-1805177-B1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2010-04-28 EP claimed
EP-1805177-A4 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-07-29 EP claimed
EP-1805177-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-07-11 EP claimed
WO-2006025715-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO claimed
EP-1805177-A4 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORP (KR) 2009-07-29 EP disclosed
EP-1805177-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF Yuhan Corporation (KR) 2007-07-11 EP disclosed
WO-2006025715-A1 PYRROLO[3,2-C]PYRIDINE DERIVATIVES AND PROCESSES FOR THE PREPARATION THEREOF YUHAN CORPORATION (KR) 2006-03-09 WO disclosed