SCHEMBL11467226

SCHEMBL11467226

CCCOc1ccc(-c2nc(SC)nnc2-c2ccc(OC(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.47
▸ PTGES O14684 3/20 0.44
▸ SMN1; SMN2 Q16637 5/20 0.40
▸ MAPT P10636 4/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ RAB9A P51151 3/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ LMNA P02545 3/20 0.40
▸ MAPK1 P28482 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ L3MBTL1 Q9Y468 2/20 0.40
▸ HPGD P15428 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALOX12 P18054 1/20 0.38

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
SCHEMBL11232062 0.91 NPSR1 (0.55) NPSR1PTGESSMN1; SMN2MAPTALDH1A1
SCHEMBL11243005 0.88 NPSR1 (0.58) NPSR1PTGESSMN1; SMN2MAPTALDH1A1
SCHEMBL11485886 0.82 PTGES (0.47) PTGESSMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL11478727 0.81 LMNA (0.48) NPSR1PTGESMAPTALDH1A1LMNA
SCHEMBL11477773 0.80 NPSR1 (0.58) NPSR1PTGESSMN1; SMN2MAPTRAB9A
SCHEMBL11468314 0.80 PTGES (0.45) PTGESSMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL11469057 0.79 PTGES (0.55) PTGESSMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL11483239 0.78 PTGES (0.61) PTGESSMN1; SMN2MAPTALDH1A1RAB9A
SCHEMBL11479740 0.77 PTGES (0.73) PTGESMAPTLMNA
SCHEMBL11240284 0.76 PTGES (0.57) NPSR1PTGESSMN1; SMN2MAPTRAB9A

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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