SCHEMBL11477306

SCHEMBL11477306

CCCc1nnc(-c2ccc(OCC)cc2)c(-c2ccc(OCC)cc2)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 1/20 0.51
▸ MAPT P10636 6/20 0.48
▸ TP53 P04637 5/20 0.48
▸ CACNA2D1 P54289 3/20 0.45
▸ NQO1 P15559 1/20 0.44
▸ RAB9A P51151 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ ALDH1A1 P00352 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ HTT P42858 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NPSR1 Q6W5P4 1/20 0.42
▸ KDM4E B2RXH2 3/20 0.42
▸ NPC1 O15118 2/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ HPGD P15428 1/20 0.42
▸ LMNA P02545 1/20 0.41
▸ HSD17B10 Q99714 2/20 0.41
▸ XDH P47989 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
SCHEMBL11470583 0.88 GPR84 (0.65) GPR84MAPTTP53CACNA2D1NQO1
SCHEMBL11241755 0.87 CACNA2D1 (0.47) GPR84MAPTTP53CACNA2D1NQO1
SCHEMBL11468338 0.86 PTGES (0.53) GPR84MAPTL3MBTL1ALDH1A1MEN1
SCHEMBL11485851 0.84 TP53 (0.54) GPR84MAPTTP53CACNA2D1RAB9A
SCHEMBL11484157 0.80 LMNA (0.49) GPR84MAPTTP53CACNA2D1ALDH1A1
SCHEMBL11247874 0.79 CACNA2D1 (0.55) MAPTTP53CACNA2D1NQO1RAB9A
SCHEMBL13108709 0.79 ALDH1A1 (0.53) MAPTTP53CACNA2D1NQO1RAB9A
SCHEMBL11483014 0.79 NQO1 (0.48) MAPTTP53CACNA2D1NQO1RAB9A
SCHEMBL11483085 0.78 ACACB (0.47) GPR84MAPTTP53CACNA2D1RAB9A
SCHEMBL11863432 0.78 CACNA2D1 (0.48) MAPTTP53CACNA2D1NQO1RAB9A

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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