SCHEMBL19822833

SCHEMBL19822833

C=C(N)c1cccc2[nH]c(C3CCCN3)nc12

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 20/20 0.78
PARP2 Q9UGN5 6/20 0.54

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
SCHEMBL630259 0.88 PARP1 (1.00) PARP1PARP2
SCHEMBL633643 0.88 PARP1 (1.00) PARP1PARP2
SCHEMBL7702651 0.88 PARP1 (1.00) PARP1PARP2
SCHEMBL630980 0.84 PARP1 (1.00) PARP1PARP2
SCHEMBL630441 0.84 PARP1 (1.00) PARP1PARP2
SCHEMBL631516 0.84 PARP1 (1.00) PARP1PARP2
SCHEMBL1298158 0.80 PARP1 (0.80) PARP1PARP2
SCHEMBL630129 0.78 PARP1 (1.00) PARP1PARP2
SCHEMBL18918405 0.78 PARP1 (0.63) PARP1PARP2
SCHEMBL6869338 0.77 PARP1 (0.69) PARP1PARP2

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-2018022851-A1 METHODS OF TREATING ACUTE KIDNEY INJURY MITOBRIDGE, INC. (US) 2018-02-01 WO disclosed