SCHEMBL4727743

SCHEMBL4727743

COc1cccc2c1C=CNC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.43
ACHE P22303 8/20 0.38
BCHE P06276 4/20 0.38
HTR5A P47898 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA4 P22748 1/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
PNMT P11086 1/20 0.36

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
SCHEMBL3815467 0.78 PARP1 (0.40) PARP1PNMT
SCHEMBL13833540 0.76 PARP1 (0.47) PARP1HTR5ACA1CA2CA7
SCHEMBL31176882 0.72 POLB (0.40) PARP1
SCHEMBL7333093 0.72 CA12 (0.41) ACHEBCHECA12CA1CA2
SCHEMBL28067181 0.72 PARP1 (0.47) PARP1HTR5APNMT
SCHEMBL14820465 0.72 PARP1 (0.47) PARP1
SCHEMBL30584471 0.72 CA12 (0.41) ACHEBCHECA12CA1CA2
SCHEMBL16154709 0.71 PARP1 (0.43) PARP1CA2
SCHEMBL25639017 0.71 PARP1 (0.43) PARP1CA1CA2
SCHEMBL8729417 0.69 ACHE (0.45) ACHEBCHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008020180-A2 METHODS OF INCREASING THE SENSITIVITY OF CANCER CELLS TO DNA DAMAGE KUDOS PHARMACEUTICALS LIMITED (GB) 2008-02-21 WO disclosed