SCHEMBL26018345

SCHEMBL26018345

O=C1NCCc2c1cc(I)[nH]c2=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PARP10 Q53GL7 12/20 0.45
▸ PARP11 Q9NR21 8/20 0.45
▸ PARP1 P09874 10/20 0.41
▸ ACHE P22303 1/20 0.41
▸ PDPK1 O15530 1/20 0.38
▸ F7 P08709 1/20 0.38
▸ F3 P13726 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ RAF1 P04049 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ MAP2K1 Q02750 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 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
SCHEMBL15690360 0.78 CDC7 (0.53) MAPK1
SCHEMBL22990298 0.74 PARP10 (0.56) PARP10PARP11PARP1ACHEPDPK1
SCHEMBL29698302 0.74 PARP10 (0.56) PARP10PARP11PARP1ACHEPDPK1
SCHEMBL26018019 0.68 GRIA1 (0.45) PARP1
SCHEMBL24886285 0.67 PARP10 (0.56) PARP10PARP11PARP1ACHEPDPK1
SCHEMBL30197872 0.67 PARP10 (0.56) PARP10PARP11PARP1ACHERAF1
SCHEMBL29698189 0.67 PARP10 (0.56) PARP10PARP11PARP1ACHEPDPK1
SCHEMBL22982047 0.67 PARP10 (0.56) PARP10PARP11PARP1ACHEPDPK1
SCHEMBL23952300 0.67 PARP10 (0.56) PARP10PARP11PARP1ACHEKDM4E
SCHEMBL23951998 0.67 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
WO-2023156386-A2 PHARMACEUTICAL COMPOUND Duke Street Bio Limited (GB) 2023-08-24 — — WO disclosed
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