SCHEMBL8128487

SCHEMBL8128487

C[C@@]1(c2cc3nc(Cl)c(Cl)cc3o2)CCCN1

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 2/20 0.34
PARP2 Q9UGN5 1/20 0.30

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
SCHEMBL8130242 0.87 PARP1 (0.33) PARP1
SCHEMBL8566838 0.87 PARP1 (0.33) PARP1
SCHEMBL8570853 0.82 PARP1 (0.34) PARP1PARP2
SCHEMBL8565685 0.82 PARP1 (0.34) PARP1PARP2
SCHEMBL8120739 0.79 PARP1 (0.39) PARP1PARP2
Hydrochloric Acid SCHEMBL8120773 0.78 KDM4E (0.38) PARP1
SCHEMBL8564031 0.77 CDC7 (0.32) PARP1PARP2
SCHEMBL8567997 0.77 CDC7 (0.32) PARP1PARP2
SCHEMBL8114887 0.74 PARP1 (0.30) PARP1PARP2
SCHEMBL8128876 0.73 PTGER3 (0.32) PARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0973777-A1 FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 2000-01-26 EP claimed
WO-1998046609-A1 FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1998-10-22 WO claimed
EP-0842178-A1 FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION Abbott Laboratories (US) 1998-05-20 EP disclosed
WO-1997005139-A1 FUROPYRIDINE, THIENOPYRIDINE, PYRROLOPYRIDINE AND RELATED PYRIMIDINE, PYRIDAZINE AND TRIAZINE COMPOUNDS USEFUL IN CONTROLLING CHEMICAL SYNAPTIC TRANSMISSION ABBOTT LABORATORIES (US) 1997-02-13 WO disclosed