SCHEMBL29156683

SCHEMBL29156683

COc1ccc2c(c1)c(P(=O)(c1ccccc1)c1ccccc1)nc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 6/20 0.45
▸ KMT2A Q03164 7/20 0.43
▸ MEN1 O00255 6/20 0.43
▸ LMNA P02545 6/20 0.43
▸ KDM4E B2RXH2 5/20 0.43
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ NQO2 P16083 1/20 0.43
▸ KDM1A O60341 3/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ GFER P55789 1/20 0.43
▸ GAA P10253 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 2/20 0.41
▸ HTT P42858 2/20 0.41

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
SCHEMBL29156671 0.90 MAPT (0.49) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL30744892 0.87 POLB (0.46) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL29156772 0.82 GPR3 (0.42) MAPTKMT2AMEN1ALDH1A1POLB
SCHEMBL29156723 0.80 NCOR2 (0.42) KMT2AMEN1RAB9AALDH1A1NPC1
SCHEMBL29156722 0.79 HDAC3 (0.41) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL29156674 0.79 MAOA (0.41) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL30744876 0.77 ESR1 (0.40) —
SCHEMBL29156703 0.76 MAOA (0.41) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL28031120 0.76 KDM4E (0.46) MAPTKMT2AMEN1LMNAKDM4E
SCHEMBL29156682 0.76 KCNA5 (0.42) MAPTKMT2AMEN1LMNAKDM4E

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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