SCHEMBL30285367

SCHEMBL30285367

O=C1NCCc2cc(Cl)c(Br)cc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 13/20 0.56
PARP11 Q9NR21 9/20 0.56
PARP1 P09874 6/20 0.56
F7 P08709 1/20 0.56
F3 P13726 1/20 0.56
KDM4E B2RXH2 1/20 0.50
GRM5 P41594 4/20 0.45
PDPK1 O15530 1/20 0.44
RAF1 P04049 1/20 0.39
MAPK1 P28482 1/20 0.39
MAP2K1 Q02750 1/20 0.39

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
SCHEMBL21333738 1.00 PARP10 (0.56) PARP10PARP11PARP1F7F3
SCHEMBL19887445 0.93 PARP10 (0.56) PARP10PARP11PARP1F7F3
SCHEMBL793729 0.85 PARP10 (0.62) PARP10PARP11PARP1F7F3
SCHEMBL27086102 0.82 NTRK2 (0.47) PARP10PARP11PARP1F7F3
SCHEMBL24039931 0.79 PARP10 (0.56) PARP10PARP11PARP1F7F3
SCHEMBL30800588 0.79 PARP10 (0.56) PARP10PARP11PARP1F7F3
SCHEMBL20572003 0.79 PARP10 (0.56) PARP10PARP11PARP1F7F3
SCHEMBL14991814 0.79 PARP10 (0.56) PARP10PARP11PARP1F7F3
SCHEMBL23865194 0.79 PARP10 (0.56) PARP10PARP11PARP1F7F3
SCHEMBL15471838 0.79 PARP10 (0.56) PARP10PARP11PARP1F7F3

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
CN-111825656-B Inhibitors of protein arginine methyltransferase 5 (PRMT 5), pharmaceutical products thereof, and methods thereof 南京药石科技股份有限公司 2023-03-31 CN disclosed