SCHEMBL359678

SCHEMBL359678

Cc1c2cccc(C(N)=O)c2nn1C1CCN(C(=O)C2CCCN(C(=O)OC(C)(C)C)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 11/20 0.47
HPGD P15428 1/20 0.42
HSD11B1 P28845 1/20 0.41
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
JAK2 O60674 3/20 0.38
JAK1 P23458 3/20 0.38

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
SCHEMBL360298 0.96 PARP1 (0.47) PARP1HPGDHSD11B1JAK2JAK1
SCHEMBL358653 0.91 PARP1 (0.47) PARP1HPGD
SCHEMBL370599 0.90 PARP1 (0.46) PARP1HPGDJAK2JAK1
SCHEMBL358670 0.89 PARP1 (0.52) PARP1
SCHEMBL368905 0.85 PARP1 (0.49) PARP1
SCHEMBL370739 0.80 PARP1 (0.46) PARP1HPGDMEN1KMT2A
SCHEMBL358681 0.79 EED (0.46) PARP1ALDH1A1
SCHEMBL359451 0.79 PARP1 (0.51) PARP1JAK2JAK1
SCHEMBL359388 0.79 PARP1 (0.50) PARP1JAK2JAK1
SCHEMBL359239 0.79 PARP1 (0.51) 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 3 patents. 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 claimed
WO-2012006958-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO disclosed
WO-2012006958-A1 AMIDS SUBSTITUTED INDAZOLE DERIVATIVEES AS PLOY(ADP-RIBOSE)POLYMERASE INHIBITORS ZHEJIANG BETA PHARMA INC. (CN) 2012-01-19 WO disclosed