SCHEMBL11744357

SCHEMBL11744357

CCOc1ccc(-c2nnc(N(CC(O)CC)C(C)C)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ PTGS2 P35354 1/20 0.38
▸ PTGES O14684 3/20 0.37
▸ TP53 P04637 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ GPR35 Q9HC97 1/20 0.35
▸ GPR55 Q9Y2T6 1/20 0.35

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
SCHEMBL11749033 0.78 PTGES (0.43) MAPTPTGS2PTGESTP53LMNA
SCHEMBL11749370 0.75 SCN9A (0.41) MAPTPTGS2PTGES
SCHEMBL11751925 0.74 CACNA2D1 (0.47) CACNA2D1MAPTPTGS2TP53LMNA
SCHEMBL11750266 0.73 CACNA2D1 (0.46) CACNA2D1MAPTPTGS2TP53LMNA
SCHEMBL11747976 0.72 PTGES (0.43) MAPTPTGESTP53LMNA
SCHEMBL11751106 0.72 TP53 (0.45) CACNA2D1MAPTTP53LMNA
SCHEMBL11745628 0.72 ALDH1A1 (0.45) MAPTPTGS2PTGESLMNA
SCHEMBL11744427 0.71 PTGES (0.42) MAPTPTGESTP53LMNA
SCHEMBL11749644 0.71 ALDH1A1 (0.44) MAPTPTGS2PTGESTP53LMNA
SCHEMBL11742591 0.71 PTGES (0.42) MAPTPTGS2PTGESTP53LMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4008232-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-02-15 — — US disclosed
US-3979516-A Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-09-07 — — US disclosed
US-3948894-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1976-04-06 — — US disclosed
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