SCHEMBL23073369

SCHEMBL23073369

N#C/N=C(\N1CCC1)N1CCP(=O)(c2cc(Cc3n[nH]c(=O)c4ccc(CN5CCP(=O)(c6cc(Cc7n[nH]c(=O)c8ccccc78)ccc6F)CC5)cc34)ccc2F)CC1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 20/20 0.63
▸ HDAC1 Q13547 1/20 0.46
▸ HDAC6 Q9UBN7 1/20 0.46
▸ PARP2 Q9UGN5 1/20 0.46

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
SCHEMBL14128270 0.94 PARP1 (0.68) PARP1
SCHEMBL14128267 0.94 PARP1 (0.68) PARP1
SCHEMBL29393790 0.94 PARP1 (0.68) PARP1
SCHEMBL24246331 0.94 PARP1 (0.68) PARP1
SCHEMBL14128269 0.86 PARP1 (0.57) PARP1
SCHEMBL29392975 0.82 PARP1 (0.81) PARP1HDAC1HDAC6PARP2
SCHEMBL14233512 0.82 PARP1 (0.81) PARP1HDAC1HDAC6PARP2
SCHEMBL23064712 0.81 PARP1 (0.78) PARP1
SCHEMBL24246330 0.78 PARP1 (0.86) PARP1
SCHEMBL23073370 0.78 PARP1 (0.53) 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-2714703-B1 TRICYCLIC INHIBITORS OF POLY(ADP-RIBOSE)POLYMERASE NEWGEN THERAPEUTICS INC (US) 2021-03-10 — — EP disclosed
Send feedback