SCHEMBL11741685

SCHEMBL11741685

CC(C)Oc1ccc(-c2nc(N(C(C)C)C(C)C)nnc2-c2ccc([S+](C)[O-])cc2)cc1

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.31
▸ MCL1 Q07820 1/20 0.30
▸ ADORA2A P29274 1/20 0.30
▸ ADORA1 P30542 1/20 0.30
▸ WDR5 P61964 1/20 0.30

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
SCHEMBL11747477 0.90 CYP1A2 (0.30) —
SCHEMBL11747582 0.89 L3MBTL1 (0.37) MAPTADORA2AADORA1
SCHEMBL11749749 0.81 MAPT (0.40) MAPTMCL1ADORA2AADORA1WDR5
SCHEMBL11743524 0.80 — —
SCHEMBL11745628 0.76 ALDH1A1 (0.45) MAPTADORA2AADORA1
SCHEMBL11749947 0.75 NUDT1 (0.35) ADORA2AADORA1
SCHEMBL19485778 0.74 ALDH1A3 (0.45) —
SCHEMBL11750097 0.73 — —
SCHEMBL11746332 0.72 — —
SCHEMBL11749806 0.72 CACNA2D1 (0.38) MAPT

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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