SCHEMBL358368

SCHEMBL358368

Cc1c2cccc(C(=O)NCCN(C)C)c2nn1C1CCCCN1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 7/20 0.45
AOX1 Q06278 1/20 0.41
UHRF1 Q96T88 2/20 0.41
SMARCA2 P51531 1/20 0.41
MERTK Q12866 1/20 0.40
POLR1A O95602 2/20 0.39
CYP1A2 P05177 1/20 0.39
KCNH2 Q12809 1/20 0.39
PARP1 P09874 1/20 0.38
PDE7A Q13946 2/20 0.38
PDE4D Q08499 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HTT P42858 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IKBKB O14920 1/20 0.37
HPGD P15428 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
SCHEMBL359347 0.97 RAD52 (0.46) RAD52AOX1UHRF1SMARCA2POLR1A
SCHEMBL359562 0.86 PARP1 (0.32) POLR1APARP1KDM4EALDH1A1
SCHEMBL358397 0.83 RAD52 (0.47) RAD52AOX1UHRF1SMARCA2POLR1A
SCHEMBL358998 0.83 SCN4A (0.34) PARP1
SCHEMBL359540 0.82 RAD52 (0.44) RAD52AOX1UHRF1SMARCA2POLR1A
SCHEMBL358798 0.82 RAD52 (0.46) RAD52AOX1UHRF1SMARCA2POLR1A
SCHEMBL12503403 0.82 PARP1 (0.36) PARP1KDM4EALDH1A1
SCHEMBL360334 0.81 PARP1 (0.47) PARP1
SCHEMBL12503322 0.78 PARP1 (0.39) PARP1KDM4E
SCHEMBL359495 0.78 PARP1 (0.46) 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