SCHEMBL359540

SCHEMBL359540

Cc1c2cccc(C(=O)NCCN(C)C)c2nn1C1CCCNC1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 7/20 0.44
ACP1 P24666 1/20 0.41
AOX1 Q06278 1/20 0.41
UHRF1 Q96T88 2/20 0.40
SMARCA2 P51531 1/20 0.40
POLR1A O95602 2/20 0.39
CYP1A2 P05177 1/20 0.39
KCNH2 Q12809 1/20 0.39
PDE7A Q13946 1/20 0.38
PARP1 P09874 1/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
IKBKB O14920 1/20 0.36
F10 P00742 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
SCHEMBL358798 0.94 RAD52 (0.46) RAD52ACP1AOX1UHRF1SMARCA2
SCHEMBL358397 0.89 RAD52 (0.47) RAD52AOX1UHRF1SMARCA2POLR1A
SCHEMBL358870 0.87 F10 (0.38) KCNH2PARP1F10
SCHEMBL359347 0.85 RAD52 (0.46) RAD52AOX1UHRF1SMARCA2POLR1A
SCHEMBL358368 0.82 RAD52 (0.45) RAD52AOX1UHRF1SMARCA2POLR1A
SCHEMBL12503295 0.82 PARP1 (0.47) KCNH2PARP1F10
SCHEMBL358735 0.81 PARP1 (0.49) KCNH2PARP1
SCHEMBL359217 0.81 RPS6KB1 (0.35) KCNH2PARP1F10
SCHEMBL27899459 0.77 HTR6 (0.34)
SCHEMBL12503212 0.76 PARP1 (0.41) KCNH2PARP1

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-2012006958-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO disclosed