SCHEMBL28822266

SCHEMBL28822266

CP(=O)(O)Oc1nc2ccccc2c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.47
▸ DDAH1 O94760 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ POLB P06746 2/20 0.38
▸ ALOX15 P16050 1/20 0.36
▸ SRC P12931 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ LMNA P02545 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ TSPO P30536 1/20 0.35
▸ KDM4E B2RXH2 3/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL28031135 0.87 GPR3 (0.42) GPR3POLBALOX15KMT2AHTT
SCHEMBL28822264 0.86 GPR3 (0.50) GPR3PARP1POLBALOX15KMT2A
SCHEMBL28031751 0.86 GPR3 (0.38) GPR3KMT2AHTTKDM4EMEN1
SCHEMBL28031124 0.86 DHODH (0.39) GPR3PARP1LMNAPDE10ATSPO
SCHEMBL28031691 0.85 KDM4E (0.41) KMT2ALMNAKDM4EMEN1HSD17B10
SCHEMBL28031125 0.85 KDM4E (0.44) POLBKMT2ALMNAHTTKDM4E
SCHEMBL28031130 0.84 DHODH (0.39) HDAC6
SCHEMBL28031746 0.83 MAT2A (0.39) GPR3LMNA
SCHEMBL28031193 0.82 ALDH1A1 (0.38) GPR3PARP1POLBKMT2ALMNA
SCHEMBL28031665 0.82 PDE10A (0.40) GPR3PARP1KMT2ALMNAHTT

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-104844651-A Method for preparing six fluorine phosphonic acid ester base fe organism derivatives UNIV LUOYANG NORMAL 2015-08-19 — — CN disclosed
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