SCHEMBL1251432

SCHEMBL1251432

O=c1[nH]nc(CCN2CCN(c3ccncc3)CC2)c2c1CCCN2

nearest known ligand 0.57

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 19/20 0.57

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
SCHEMBL1252188 0.93 PARP1 (0.54) PARP1
Hydrochloric Acid SCHEMBL1249915 0.89 PARP1 (0.60) PARP1
Hydrochloric Acid SCHEMBL1252033 0.85 PARP1 (0.55) PARP1
SCHEMBL1252640 0.83 PARP1 (0.57) PARP1
SCHEMBL1249820 0.83 PARP1 (0.57) PARP1
Hydrochloric Acid SCHEMBL1251401 0.83 PARP1 (0.53) PARP1
SCHEMBL1252279 0.82 PARP1 (0.58) PARP1
SCHEMBL1249814 0.82 PARP1 (0.49) PARP1
Hydrochloric Acid SCHEMBL1251317 0.81 PARP1 (0.48) PARP1
SCHEMBL1249911 0.80 PARP1 (0.52) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2281818-A1 Fused pyridazine derivative compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2011-02-09 — — EP claimed
Send feedback