SCHEMBL28032373

SCHEMBL28032373

O=C1NCCc2c(Cl)cc(Br)cc21

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 11/20 0.51
▸ PARP1 P09874 8/20 0.51
▸ PARP11 Q9NR21 8/20 0.47
▸ F7 P08709 1/20 0.44
▸ F3 P13726 1/20 0.44
▸ CDK2 P24941 1/20 0.40
▸ ACHE P22303 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ PTK2B Q14289 1/20 0.40
▸ RAF1 P04049 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ MAP2K1 Q02750 1/20 0.39
▸ NOTUM Q6P988 1/20 0.37
▸ PDPK1 O15530 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL31160537 0.82 CLK4 (0.44) PARP10PARP1PARP11F7F3
SCHEMBL18304941 0.81 PARP10 (0.53) PARP10PARP1PARP11CDK2ACHE
SCHEMBL30362890 0.81 PARP10 (0.53) PARP10PARP1PARP11CDK2ACHE
SCHEMBL32669251 0.79 PARP10 (0.51) PARP10PARP1PARP11F7F3
SCHEMBL21237626 0.76 PARP10 (0.51) PARP10PARP1PARP11F7F3
SCHEMBL24886285 0.76 PARP10 (0.56) PARP10PARP1PARP11F7F3
SCHEMBL32669326 0.76 PARP10 (0.44) PARP10PARP1PARP11F7F3
SCHEMBL11184319 0.76 PARP1 (0.45) PARP10PARP1PARP11F7F3
SCHEMBL22547426 0.74 SIRT2 (0.35) PARP10PARP1NOTUMMEN1KMT2A
SCHEMBL30676593 0.74 SIRT2 (0.35) PARP10PARP1NOTUMMEN1KMT2A

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-104870435-A Aryl and heteroaryl fused lactams PFIZER 2015-08-26 — — CN disclosed
Send feedback