SCHEMBL26018099

SCHEMBL26018099

O=c1[nH]c(I)c(Cl)c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SERPINE1 P05121 3/20 0.47
▸ PARP1 P09874 12/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TNKS O95271 2/20 0.47
▸ PARP15 Q460N3 2/20 0.47
▸ TNKS2 Q9H2K2 2/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ BLM P54132 2/20 0.47
▸ PMP22 Q01453 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ GPR3 P46089 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ AURKA O14965 2/20 0.42
▸ AURKB Q96GD4 1/20 0.42
▸ CA12 O43570 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ GMNN O75496 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
SCHEMBL21387271 0.78 PARP1 (0.50) SERPINE1PARP1KDM4ETNKSPARP15
SCHEMBL31047679 0.76 SERPINE1 (0.65) SERPINE1PARP1KDM4ETNKSPARP15
SCHEMBL29914858 0.75 MEN1 (0.47) SERPINE1PARP1KDM4ETNKSPARP15
SCHEMBL30364598 0.74 ALDH1A1 (0.50) PARP1KDM4ETNKSPARP15TNKS2
SCHEMBL3081936 0.71 PARP1 (0.71) SERPINE1PARP1KDM4ETNKSPARP15
SCHEMBL5017370 0.71 SERPINE1 (0.55) SERPINE1PARP1TNKSTNKS2MAPT
SCHEMBL31175987 0.68 KDM4E (0.53) PARP1KDM4ETNKSPARP15TNKS2
SCHEMBL147819 0.65 MAOA (0.58) ALDH1A1LMNACYP1A2BLMPMP22
SCHEMBL29440644 0.65 MAOA (0.58) ALDH1A1LMNACYP1A2BLMPMP22
SCHEMBL31014307 0.64 SERPINE1 (0.71) SERPINE1PARP1KDM4ETNKSTNKS2

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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