SCHEMBL11472295

SCHEMBL11472295

COc1ccc(-c2nnc(Cc3ccccc3)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GPR84 Q9NQS5 6/20 0.62
▸ ALDH1A1 P00352 3/20 0.54
▸ LMNA P02545 3/20 0.54
▸ NPSR1 Q6W5P4 3/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ KDM4E B2RXH2 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ LTA4H P09960 1/20 0.53
▸ HTT P42858 2/20 0.51
▸ TP53 P04637 1/20 0.48
▸ ADORA2A P29274 1/20 0.46
▸ ADORA1 P30542 1/20 0.46
▸ CETP P11597 1/20 0.46
▸ RAB9A P51151 2/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ PTGES O14684 2/20 0.44
▸ MAPT P10636 1/20 0.44

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
SCHEMBL11470521 0.90 GPR84 (0.53) GPR84ALDH1A1LMNANPSR1L3MBTL1
SCHEMBL11477811 0.85 GPR84 (0.53) GPR84ALDH1A1LMNANPSR1L3MBTL1
SCHEMBL11231246 0.80 GPR84 (0.54) GPR84ALDH1A1LMNANPSR1L3MBTL1
SCHEMBL11469393 0.78 TP53 (0.46) GPR84ALDH1A1LMNANPSR1KDM4E
SCHEMBL11468338 0.77 PTGES (0.53) GPR84ALDH1A1LMNANPSR1L3MBTL1
Hydrochloric Acid SCHEMBL9695587 0.77 GPR84 (0.52) GPR84ALDH1A1LMNANPSR1L3MBTL1
SCHEMBL11476538 0.76 TP53 (0.62) ALDH1A1LMNANPSR1L3MBTL1KDM4E
SCHEMBL9696190 0.76 GPR84 (0.51) GPR84ALDH1A1LMNANPSR1L3MBTL1
SCHEMBL10509045 0.75 NPSR1 (0.53) ALDH1A1LMNANPSR1L3MBTL1KDM4E
SCHEMBL11711874 0.75 GPR84 (0.51) GPR84ALDH1A1LMNANPSR1L3MBTL1

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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