SCHEMBL11469057

SCHEMBL11469057

CCCOc1ccc(-c2nnc(SCC)nc2-c2ccc(OCCC)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 4/20 0.55
▸ MAPT P10636 5/20 0.48
▸ LMNA P02545 1/20 0.47
▸ TP53 P04637 3/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ NPC1 O15118 5/20 0.46
▸ HPGD P15428 4/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ ACACB O00763 1/20 0.44
▸ ACACA Q13085 1/20 0.44
▸ HSD17B10 Q99714 3/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.43
▸ ALOX12 P18054 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CYP1A2 P05177 1/20 0.42
▸ GAA P10253 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) PTGESMAPTLMNATP53RAB9A
SCHEMBL11476250 0.88 MAPT (0.59) PTGESMAPTLMNATP53RAB9A
SCHEMBL11232062 0.87 NPSR1 (0.55) PTGESMAPTLMNATP53RAB9A
SCHEMBL11231108 0.84 PTGES (0.71) PTGESMAPTLMNATP53RAB9A
SCHEMBL11485886 0.83 PTGES (0.47) PTGESMAPTLMNATP53RAB9A
SCHEMBL11468314 0.81 PTGES (0.45) PTGESMAPTLMNATP53RAB9A
SCHEMBL11475990 0.80 PTGES (0.62) PTGESMAPTLMNATP53RAB9A
SCHEMBL11467226 0.79 NPSR1 (0.47) PTGESMAPTLMNARAB9ASMN1; SMN2
SCHEMBL11483171 0.79 RAB9A (0.49) MAPTLMNATP53RAB9ASMN1; SMN2
SCHEMBL11483085 0.78 ACACB (0.47) MAPTLMNATP53RAB9ASMN1; SMN2

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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