SCHEMBL11469387

SCHEMBL11469387

CCOc1ccc(-c2nnc(SC3CCC3)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.53
▸ TP53 P04637 5/20 0.51
▸ PTGES O14684 4/20 0.50
▸ MAPT P10636 6/20 0.48
▸ PTGS2 P35354 1/20 0.44
▸ CACNA2D1 P54289 1/20 0.43

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
SCHEMBL11240284 0.84 PTGES (0.57) LMNATP53PTGESMAPTPTGS2
SCHEMBL11469966 0.80 HTR2A (0.46) LMNATP53PTGESMAPTCACNA2D1
SCHEMBL11477773 0.78 NPSR1 (0.58) LMNATP53PTGESMAPTCACNA2D1
SCHEMBL11472297 0.77 LMNA (0.58) LMNATP53PTGESMAPTPTGS2
SCHEMBL11483110 0.74 TP53 (0.47) LMNATP53PTGESMAPTPTGS2
SCHEMBL11476250 0.74 MAPT (0.59) LMNATP53PTGESMAPTPTGS2
SCHEMBL11240864 0.74 NPSR1 (0.64) LMNATP53PTGESMAPTPTGS2
SCHEMBL11247332 0.73 CACNA2D1 (0.51) LMNATP53PTGESMAPTCACNA2D1
SCHEMBL11245330 0.73 CACNA2D1 (0.51) LMNATP53PTGESMAPTCACNA2D1
SCHEMBL11860981 0.73 CACNA2D1 (0.51) LMNATP53PTGESMAPTPTGS2

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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