SCHEMBL29156772

SCHEMBL29156772

Cc1ccc2c(c1)c(P(=O)(c1ccccc1)c1ccccc1)nc1ccccc12

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.42
▸ MAOA P21397 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ GAA P10253 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ NPSR1 Q6W5P4 1/20 0.41
▸ KDM1A O60341 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NQO2 P16083 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
SCHEMBL29156703 0.91 MAOA (0.41) GPR3MAOAMEN1KMT2AALDH1A1
SCHEMBL29156718 0.90 MAOA (0.46) MAOAMEN1KMT2AALDH1A1GAA
SCHEMBL29156666 0.86 GPR3 (0.46) GPR3MEN1KMT2AALDH1A1GAA
SCHEMBL29156723 0.84 NCOR2 (0.42) GPR3MEN1KMT2AALDH1A1
SCHEMBL30744889 0.83 KIF11 (0.42) MAOAMEN1KMT2AALDH1A1GAA
SCHEMBL29156668 0.83 KIF11 (0.42) MAOAMEN1KMT2AALDH1A1GAA
SCHEMBL29156722 0.82 HDAC3 (0.41) GPR3MEN1KMT2AALDH1A1MAPT
SCHEMBL29156674 0.82 MAOA (0.41) MAOAMEN1KMT2AALDH1A1MAPT
SCHEMBL30744801 0.82 GPR3 (0.44) GPR3MEN1KMT2AALDH1A1GAA
SCHEMBL29156683 0.82 MAPT (0.45) MEN1KMT2AALDH1A1GAAPOLB

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-117534705-A Method for synthesizing phosphoryl heterocyclic aromatic hydrocarbon by photocatalysis 中国科学院理化技术研究所 2024-02-09 — — CN disclosed
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