SCHEMBL11470583

SCHEMBL11470583

CCCCCCc1nnc(-c2ccc(OCC)cc2)c(-c2ccc(OCC)cc2)n1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.65
▸ MAPT P10636 6/20 0.52
▸ RAB9A P51151 2/20 0.52
▸ L3MBTL1 Q9Y468 1/20 0.52
▸ TP53 P04637 3/20 0.50
▸ PTGES O14684 2/20 0.48
▸ CACNA2D1 P54289 3/20 0.43
▸ CASP3 P42574 1/20 0.40
▸ SENP8 Q96LD8 1/20 0.40
▸ SENP7 Q9BQF6 1/20 0.40
▸ SENP6 Q9GZR1 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ NQO1 P15559 1/20 0.39
▸ CYP19A1 P11511 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP3A4 P08684 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
SCHEMBL11477306 0.88 GPR84 (0.51) GPR84MAPTRAB9AL3MBTL1TP53
SCHEMBL11477154 0.87 GPR84 (0.67) GPR84MAPTL3MBTL1PTGESCASP3
SCHEMBL11482987 0.84 GPR84 (0.62) GPR84MAPTRAB9AL3MBTL1TP53
SCHEMBL11241755 0.82 CACNA2D1 (0.47) GPR84MAPTRAB9ATP53CACNA2D1
SCHEMBL11485851 0.80 TP53 (0.54) GPR84MAPTRAB9ATP53CACNA2D1
SCHEMBL11485827 0.77 PTGES (0.79) MAPTRAB9AL3MBTL1TP53PTGES
SCHEMBL11467121 0.76 GPR84 (0.49) GPR84MAPTRAB9AL3MBTL1TP53
SCHEMBL12285602 0.76 MAPT (0.68) MAPTRAB9AL3MBTL1TP53CASP3
SCHEMBL11484157 0.76 LMNA (0.49) GPR84MAPTTP53CACNA2D1ALDH1A1
SCHEMBL11468338 0.75 PTGES (0.53) GPR84MAPTL3MBTL1PTGESCASP3

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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