SCHEMBL358397

SCHEMBL358397

Cc1c2cccc(C(=O)NCCN(C)C)c2nn1C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 7/20 0.47
AOX1 Q06278 1/20 0.43
UHRF1 Q96T88 2/20 0.43
SMARCA2 P51531 1/20 0.42
POLR1A O95602 3/20 0.41
CYP1A2 P05177 1/20 0.41
KCNH2 Q12809 1/20 0.41
PARP1 P09874 1/20 0.39
HTT P42858 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
IKBKB O14920 1/20 0.38
PDE7A Q13946 1/20 0.38
HPGD P15428 1/20 0.38
ECE1 P42892 1/20 0.38
MUS81 Q96NY9 1/20 0.38
HTR4 Q13639 1/20 0.37

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) RAD52AOX1UHRF1SMARCA2POLR1A
SCHEMBL359540 0.89 RAD52 (0.44) RAD52AOX1UHRF1SMARCA2POLR1A
SCHEMBL357860 0.85 NR3C1 (0.36) PARP1PDE7AHTR4
SCHEMBL359347 0.84 RAD52 (0.46) RAD52AOX1UHRF1SMARCA2POLR1A
SCHEMBL358368 0.83 RAD52 (0.45) RAD52AOX1UHRF1SMARCA2POLR1A
SCHEMBL12503364 0.81 NSD3 (0.42) PARP1
SCHEMBL359217 0.80 RPS6KB1 (0.35) KCNH2PARP1HTR4
SCHEMBL359581 0.80 RPS6KB1 (0.48) PARP1
SCHEMBL358818 0.79 RAD52 (0.46) RAD52AOX1UHRF1SMARCA2POLR1A
SCHEMBL10172415 0.75 RAD52 (0.46) RAD52AOX1UHRF1SMARCA2POLR1A

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