SCHEMBL5568504

SCHEMBL5568504

[NaH].c1cc2[nH]ccc2cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
AHR P35869 4/20 0.44
TRPA1 O75762 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
CA4 P22748 1/20 0.44
CA6 P23280 1/20 0.44
ADK P55263 1/20 0.44
CYP17A1 P05093 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
MAPT P10636 1/20 0.41
MAOA P21397 1/20 0.40

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
SCHEMBL30205720 0.98
SCHEMBL709416 0.98 PDE3B (0.50) PDE3BPDE3AAHRTRPA1CA1
SCHEMBL67000 0.98
Iodide SCHEMBL18952073 0.95 PDE3B (0.48) PDE3BPDE3AAHRTRPA1CA1
Ammonia Solution, Strong SCHEMBL27929463 0.95 PDE3B (0.48) PDE3BPDE3AAHRTRPA1CA1
SCHEMBL28112440 0.95
Bromide SCHEMBL2722104 0.95 PDE3B (0.48) PDE3BPDE3AAHRTRPA1CA1
Hydrochloric Acid SCHEMBL884599 0.95 PDE3B (0.48) PDE3BPDE3AAHRTRPA1CA1
SCHEMBL5568512 0.95 PDE3B (0.48) PDE3BPDE3AAHRTRPA1CA1
SCHEMBL17372872 0.90 MAPT (0.45) PDE3BPDE3AAHRTRPA1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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