SCHEMBL29156674

SCHEMBL29156674

O=P(c1ccccc1)(c1ccccc1)c1nc2ccccc2c2ccc(Cl)cc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ APAF1 O14727 1/20 0.39
▸ GUSB P08236 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ MAPK1 P28482 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ TDO2 P48775 1/20 0.36

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
SCHEMBL29156856 0.90 KDM4E (0.41) MAOAMAOBKDM4EALDH1A1MAPT
SCHEMBL29156723 0.84 NCOR2 (0.42) ALDH1A1HPGDMEN1KMT2AIDO1
SCHEMBL29156772 0.82 GPR3 (0.42) MAOAALDH1A1MAPTNPSR1CYP1A2
SCHEMBL29156722 0.82 HDAC3 (0.41) KDM4EALDH1A1MAPTHPGDAPAF1
SCHEMBL30744876 0.80 ESR1 (0.40) —
SCHEMBL29156682 0.79 KCNA5 (0.42) KDM4EALDH1A1MAPTSMN1; SMN2CYP1A2
SCHEMBL29156683 0.79 MAPT (0.45) KDM4EALDH1A1MAPTNPSR1HPGD
SCHEMBL29156703 0.77 MAOA (0.41) MAOAKDM4EALDH1A1MAPTNPSR1
SCHEMBL29156666 0.74 GPR3 (0.46) KDM4EALDH1A1MAPTNPSR1SMN1; SMN2
SCHEMBL30744952 0.74 TNKS (0.41) MAOBKDM4EALDH1A1MAPTHPGD

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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