SCHEMBL11475990

SCHEMBL11475990

CCCSc1nnc(-c2ccc(OCC)cc2)c(-c2ccc(OCC)cc2)n1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 4/20 0.62
▸ MAPT P10636 5/20 0.57
▸ LMNA P02545 1/20 0.55
▸ TP53 P04637 2/20 0.54
▸ PTGS2 P35354 5/20 0.46
▸ GAA P10253 1/20 0.45
▸ HPGD P15428 1/20 0.44
▸ RECQL P46063 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ CACNA2D1 P54289 1/20 0.42

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
SCHEMBL11483239 0.90 PTGES (0.61) PTGESMAPTLMNATP53PTGS2
SCHEMBL11485827 0.89 PTGES (0.79) PTGESMAPTLMNATP53PTGS2
SCHEMBL11476250 0.88 MAPT (0.59) PTGESMAPTLMNATP53PTGS2
SCHEMBL11244831 0.87 PTGES (0.80) PTGESMAPTLMNATP53PTGS2
SCHEMBL11468271 0.84 PTGES (0.52) PTGESMAPTLMNATP53PTGS2
SCHEMBL11477773 0.84 NPSR1 (0.58) PTGESMAPTLMNATP53NPC1
SCHEMBL11472297 0.82 LMNA (0.58) PTGESMAPTLMNATP53PTGS2
SCHEMBL11466969 0.80 MAPT (0.54) PTGESMAPTLMNATP53PTGS2
SCHEMBL11469057 0.80 PTGES (0.55) PTGESMAPTLMNATP53PTGS2
SCHEMBL11240834 0.79 PTGES (0.90) PTGESMAPTLMNATP53PTGS2

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