SCHEMBL30744801

SCHEMBL30744801

Cc1cc(C)cc(P(=O)(c2cc(C)cc(C)c2)c2nc3ccccc3c3ccccc23)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR3 P46089 1/20 0.44
▸ KMT2A Q03164 4/20 0.40
▸ MEN1 O00255 3/20 0.40
▸ MAPT P10636 3/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.37
▸ BACE1 P56817 1/20 0.37
▸ NCF1 P14598 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ ELANE P08246 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ GAA P10253 2/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ MCL1 Q07820 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 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
SCHEMBL29156666 0.86 GPR3 (0.46) GPR3KMT2AMEN1MAPTKDM4E
SCHEMBL29156703 0.82 MAOA (0.41) GPR3KMT2AMEN1MAPTKDM4E
SCHEMBL29156772 0.82 GPR3 (0.42) GPR3KMT2AMEN1MAPTCYP1A2
SCHEMBL29156718 0.80 MAOA (0.46) KMT2AMEN1MAPTKDM4EALDH1A1
SCHEMBL30744886 0.78 GPR3 (0.37) GPR3KMT2AMEN1MAPTKDM4E
SCHEMBL30744952 0.76 TNKS (0.41) GPR3KMT2AMEN1MAPTKDM4E
SCHEMBL29156679 0.76 GPR3 (0.46) GPR3KMT2AMEN1MAPTKDM4E
SCHEMBL30744892 0.76 POLB (0.46) KMT2AMEN1MAPTKDM4ECYP1A2
SCHEMBL29156723 0.74 NCOR2 (0.42) GPR3KMT2AMEN1ALDH1A1TNKS2
SCHEMBL31212644 0.72 LMNA (0.47) KMT2AMEN1MAPTKDM4EALDH1A1

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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