SCHEMBL11466969

SCHEMBL11466969

CCOc1ccc(-c2nnc(SC(C)C)nc2-c2ccc(OCC)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 5/20 0.54
▸ TP53 P04637 4/20 0.51
▸ LMNA P02545 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ PTGES O14684 3/20 0.46
▸ GAA P10253 1/20 0.42
▸ CACNA2D1 P54289 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MITF O75030 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ NQO1 P15559 1/20 0.40

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
SCHEMBL11485886 0.89 PTGES (0.47) MAPTTP53LMNAKDM4EPTGES
SCHEMBL11230698 0.84 PTGES (0.56) MAPTTP53LMNAKDM4EMEN1
SCHEMBL11477773 0.84 NPSR1 (0.58) MAPTTP53LMNAPTGESCACNA2D1
SCHEMBL11476250 0.82 MAPT (0.59) MAPTTP53LMNAKDM4EPTGES
SCHEMBL11475990 0.80 PTGES (0.62) MAPTTP53LMNAKDM4EPTGES
SCHEMBL11468271 0.79 PTGES (0.52) MAPTTP53LMNAKDM4EPTGES
SCHEMBL11240284 0.79 PTGES (0.57) MAPTTP53LMNAPTGESCACNA2D1
SCHEMBL11468314 0.79 PTGES (0.45) MAPTTP53LMNAKDM4EPTGES
SCHEMBL11477369 0.78 CACNA2D1 (0.45) MAPTTP53LMNAKDM4EMEN1
SCHEMBL11479414 0.77 HPGD (0.44) MAPTTP53LMNAPTGESNPC1

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
US-4190725-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1980-02-26 — — US disclosed
US-4021553-A 5,6-Diaryl-1,2,4-triazines as topically-active anti-inflammatory agents ELI LILLY AND COMPANY (US) 1977-05-03 — — US disclosed
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