SCHEMBL370599

SCHEMBL370599

CC(C)(C)OC(=O)N1CCCC(C(=O)N2CCC(n3nc4c(C(N)=O)cccc4c3-c3ccccc3)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.46
USP30 Q70CQ3 5/20 0.42
HPGDS O60760 2/20 0.41
ACKR3 P25106 1/20 0.41
EGFR P00533 1/20 0.41
SRC P12931 1/20 0.41
HPGD P15428 1/20 0.40
JAK2 O60674 3/20 0.40
JAK1 P23458 3/20 0.40

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
SCHEMBL370739 0.91 PARP1 (0.46) PARP1USP30HPGDSHPGD
SCHEMBL359678 0.90 PARP1 (0.47) PARP1HPGDJAK2JAK1
SCHEMBL359223 0.89 PARP1 (0.49) PARP1HPGDSEGFRSRCJAK2
SCHEMBL360298 0.85 PARP1 (0.47) PARP1USP30HPGDJAK2JAK1
SCHEMBL358653 0.80 PARP1 (0.47) PARP1HPGD
SCHEMBL358333 0.78 PARP1 (0.48) PARP1
SCHEMBL358670 0.77 PARP1 (0.52) PARP1
SCHEMBL359451 0.77 PARP1 (0.51) PARP1USP30ACKR3JAK2JAK1
SCHEMBL359388 0.77 PARP1 (0.50) PARP1EGFRSRCJAK2JAK1
SCHEMBL359239 0.77 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