SCHEMBL28131753

SCHEMBL28131753

COc1ccc(Cc2cccc(I)c2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 3/20 0.63
▸ APP P05067 5/20 0.51
▸ IDO1 P14902 3/20 0.46
▸ SLC5A1 P13866 1/20 0.45
▸ SLC5A2 P31639 1/20 0.45
▸ SAE1 Q9UBE0 1/20 0.44
▸ UBA2 Q9UBT2 1/20 0.44
▸ MTNR1A P48039 1/20 0.43
▸ MTNR1B P49286 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ SLC6A4 P31645 1/20 0.42
▸ MAOB P27338 1/20 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
SCHEMBL29880282 1.00 LTA4H (0.63) LTA4HAPPIDO1SLC5A1SLC5A2
SCHEMBL10970519 0.87 LTA4H (0.76) LTA4HIDO1SLC5A1SLC5A2SAE1
SCHEMBL14191204 0.83 LTA4H (0.70) LTA4HIDO1MTNR1AMTNR1BKDM4E
SCHEMBL5250014 0.83 APP (0.53) LTA4HAPPIDO1SMN1; SMN2RAB9A
SCHEMBL4507875 0.83 APP (0.53) LTA4HAPPIDO1SMN1; SMN2RAB9A
SCHEMBL9348618 0.81 IDO1 (0.50) APPIDO1SMN1; SMN2RAB9A
SCHEMBL4314726 0.81 APP (0.68) LTA4HAPPIDO1SAE1UBA2
SCHEMBL9352538 0.80 IDO1 (0.58) IDO1SMN1; SMN2RAB9A
SCHEMBL20418385 0.80 LTA4H (0.66) LTA4HIDO1SLC5A1SLC5A2KDM4E
SCHEMBL20691033 0.79 IDO1 (0.46) LTA4HIDO1SLC5A2SAE1UBA2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110015952-B Diaryl methane compound and preparation method and application thereof 北京大学深圳研究生院 2022-08-19 — — CN disclosed
CN-106478326-A The synthetic method of one class diarylmethanes 北京大学 2017-03-08 — — CN disclosed
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