SCHEMBL10173013

SCHEMBL10173013

Cc1c2cccc(C(=O)NCCN(C)C)c2nn1C1(C)CCCNC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 7/20 0.43
AOX1 Q06278 1/20 0.40
UHRF1 Q96T88 2/20 0.40
SMARCA2 P51531 1/20 0.39
POLR1A O95602 3/20 0.38
CYP1A2 P05177 1/20 0.38
KCNH2 Q12809 1/20 0.38
PARP1 P09874 1/20 0.37
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 1/20 0.35
ECE1 P42892 1/20 0.35
MUS81 Q96NY9 1/20 0.35
SLC40A1 Q9NP59 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HSD17B10 Q99714 1/20 0.34
EGFR P00533 1/20 0.34
SRC P12931 1/20 0.34

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
SCHEMBL358818 0.89 RAD52 (0.46) RAD52AOX1UHRF1SMARCA2POLR1A
SCHEMBL10172410 0.87 PARP1 (0.32) PARP1
SCHEMBL10172411 0.81 PARP1 (0.46) KCNH2PARP1
SCHEMBL358657 0.81 PARP1 (0.34) PARP1
SCHEMBL27899454 0.77
SCHEMBL12503367 0.76 PARP1 (0.37) PARP1HTTSMN1; SMN2KDM4EALDH1A1
SCHEMBL359540 0.75 RAD52 (0.44) RAD52AOX1UHRF1SMARCA2POLR1A
SCHEMBL359582 0.75 PARP1 (0.48) PARP1
SCHEMBL360327 0.75 PARP1 (0.34) RAD52PARP1
SCHEMBL358397 0.74 RAD52 (0.47) 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