SCHEMBL29156703

SCHEMBL29156703

Cc1ccc2c(c1)nc(P(=O)(c1ccccc1)c1ccccc1)c1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.41
▸ ALDH1A1 P00352 6/20 0.41
▸ MAPT P10636 4/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ POLB P06746 2/20 0.41
▸ GAA P10253 2/20 0.41
▸ GPR3 P46089 1/20 0.39
▸ NQO2 P16083 1/20 0.39
▸ KDM4E B2RXH2 3/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KDM1A O60341 1/20 0.36
▸ LMNA P02545 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
SCHEMBL29156772 0.91 GPR3 (0.42) MAOAALDH1A1MAPTMEN1KMT2A
SCHEMBL29156718 0.90 MAOA (0.46) MAOAALDH1A1MAPTMEN1KMT2A
SCHEMBL29156666 0.86 GPR3 (0.46) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL30744801 0.82 GPR3 (0.44) ALDH1A1MAPTMEN1KMT2AGAA
SCHEMBL29156723 0.78 NCOR2 (0.42) ALDH1A1MEN1KMT2AGPR3HTT
SCHEMBL29156722 0.77 HDAC3 (0.41) ALDH1A1MAPTMEN1KMT2AGPR3
SCHEMBL29156674 0.77 MAOA (0.41) MAOAALDH1A1MAPTMEN1KMT2A
SCHEMBL29156683 0.76 MAPT (0.45) ALDH1A1MAPTMEN1KMT2ANPSR1
SCHEMBL30744952 0.74 TNKS (0.41) ALDH1A1MAPTMEN1KMT2AGPR3
SCHEMBL29538477 0.72 GPR3 (0.67) MAOAALDH1A1MAPTGPR3NQO2

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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