SCHEMBL22113992

SCHEMBL22113992

Sc1ccc2c(c1)C=CNCC2

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.32

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
SCHEMBL520268 0.72 PARP1 (0.61) PARP1
SCHEMBL7208524 0.71 PNMT (0.53)
SCHEMBL9529812 0.67 DRD2 (0.47) PARP1
SCHEMBL25775228 0.66 CA1 (0.32)
SCHEMBL4877761 0.63 ASIC3 (0.60)
SCHEMBL4868962 0.63 PNMT (0.60)
Hydrochloric Acid SCHEMBL11479781 0.62 PNMT (0.58)
SCHEMBL3365351 0.60 DRD2 (0.59)
SCHEMBL1200026 0.59 PARP10 (0.64) PARP1
SCHEMBL9756716 0.58 DRD2 (0.46)

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-2020123674-A1 SUBSTITUTED ARYLMETHYLUREAS AND HETEROARYLMETHYLUREAS, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2020-06-18 WO disclosed