SCHEMBL29698267

SCHEMBL29698267

O=C1NCCc2c(Br)cc(CO)cc21

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 13/20 0.51
▸ PARP11 Q9NR21 10/20 0.51
▸ PARP1 P09874 10/20 0.41
▸ ACHE P22303 1/20 0.41
▸ RAF1 P04049 1/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ PDPK1 O15530 1/20 0.34
▸ F7 P08709 1/20 0.34
▸ F3 P13726 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
SCHEMBL22981764 1.00 PARP10 (0.51) PARP10PARP11PARP1ACHERAF1
SCHEMBL22990374 0.88 PARP10 (0.51) PARP10PARP11PARP1ACHERAF1
SCHEMBL29698311 0.88 PARP10 (0.51) PARP10PARP11PARP1ACHERAF1
SCHEMBL27085865 0.84 PIM1 (0.49) PARP10PARP11
SCHEMBL22982078 0.83 PARP10 (0.50) PARP10PARP11PARP1ACHERAF1
SCHEMBL29698242 0.83 PARP10 (0.50) PARP10PARP11PARP1ACHERAF1
SCHEMBL23951998 0.76 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL22990298 0.76 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL23952300 0.76 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL22982047 0.76 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1

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
EP-4010334-A1 HETEROCYCLIC WDR5 INHIBITORS AS ANTI-CANCER COMPOUNDS Novartis AG (CH) 2022-06-15 — — EP disclosed
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