SCHEMBL30764106

SCHEMBL30764106

O=[N+]([O-])c1cccc(P(=O)(c2ccccc2)c2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ ALDH1A1 P00352 5/20 0.54
▸ MEN1 O00255 3/20 0.51
▸ KMT2A Q03164 3/20 0.51
▸ NFE2L2 Q16236 1/20 0.51
▸ ACP3 P15309 1/20 0.51
▸ NPC1 O15118 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TP53 P04637 1/20 0.49
▸ ACHE P22303 1/20 0.48
▸ TDP1 Q9NUW8 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ NPSR1 Q6W5P4 1/20 0.48
▸ HSP90AA1 P07900 1/20 0.47
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46

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
SCHEMBL16774768 1.00 TSHR (0.57) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL29176796 1.00 TSHR (0.57) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL8408187 0.94 TSHR (0.64) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL30764114 0.94 TSHR (0.64) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL4323924 0.86 TSHR (0.50) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL30764109 0.85 KMT2A (0.49) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL7620892 0.82 TSHR (0.46) TSHRLMNAALDH1A1NFE2L2MAPT
SCHEMBL2637261 0.81 TSHR (0.61) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL917013 0.81 TSHR (0.61) TSHRLMNAALDH1A1MEN1KMT2A
SCHEMBL2031433 0.79 TSHR (0.59) TSHRLMNAALDH1A1MEN1KMT2A

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-117736239-A Synthesis method of sulfonated bis (3-aminophenyl) phenylphosphine oxide 河北建新化工股份有限公司 2024-03-22 — — CN disclosed
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