SCHEMBL11472297

SCHEMBL11472297

CCOc1ccc(-c2nnc(SCCC3CCC3)nc2-c2ccc(OCC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.58
▸ PTGES O14684 3/20 0.50
▸ MAPT P10636 6/20 0.49
▸ TP53 P04637 4/20 0.47
▸ PTGS2 P35354 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ CACNA2D1 P54289 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ NPSR1 Q6W5P4 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TNK2 Q07912 1/20 0.39

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
SCHEMBL11475990 0.82 PTGES (0.62) LMNAPTGESMAPTTP53PTGS2
SCHEMBL11476250 0.80 MAPT (0.59) LMNAPTGESMAPTTP53PTGS2
SCHEMBL11485827 0.78 PTGES (0.79) LMNAPTGESMAPTTP53PTGS2
SCHEMBL11469387 0.77 LMNA (0.53) LMNAPTGESMAPTTP53PTGS2
SCHEMBL11484157 0.76 LMNA (0.49) LMNAMAPTTP53GAACACNA2D1
SCHEMBL11468271 0.76 PTGES (0.52) LMNAPTGESMAPTTP53PTGS2
SCHEMBL11477773 0.76 NPSR1 (0.58) LMNAPTGESMAPTTP53CACNA2D1
SCHEMBL11483239 0.74 PTGES (0.61) LMNAPTGESMAPTTP53PTGS2
SCHEMBL11466969 0.72 MAPT (0.54) LMNAPTGESMAPTTP53PTGS2
SCHEMBL11240284 0.71 PTGES (0.57) LMNAPTGESMAPTTP53PTGS2

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
Send feedback