SCHEMBL11478263

SCHEMBL11478263

CCOc1ccc(-c2nnc(CC3CCCC3)nc2-c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.46
▸ CACNA2D1 P54289 3/20 0.41
▸ MAPT P10636 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ HTT P42858 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NPSR1 Q6W5P4 2/20 0.37
▸ PSMB5 P28074 1/20 0.37
▸ POLB P06746 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ TLR9 Q9NR96 1/20 0.36
▸ TP53 P04637 3/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TNK2 Q07912 1/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 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
SCHEMBL11470172 0.86 GPR84 (0.40) LMNAMAPTALDH1A1MEN1HTT
SCHEMBL11484157 0.78 LMNA (0.49) LMNACACNA2D1MAPTALDH1A1MEN1
SCHEMBL11469393 0.78 TP53 (0.46) LMNACACNA2D1MAPTALDH1A1MEN1
SCHEMBL10943076 0.78 MAPT (0.44) LMNACACNA2D1MAPTALDH1A1MEN1
SCHEMBL11467134 0.75 PTGS1 (0.40) LMNAMAPTALDH1A1HTTNPSR1
SCHEMBL11477775 0.73 WDR5 (0.36) LMNAMAPTALDH1A1NPSR1POLB
SCHEMBL11477306 0.73 GPR84 (0.51) LMNACACNA2D1MAPTALDH1A1MEN1
SCHEMBL11238972 0.73 GPR84 (0.43) LMNAMAPTALDH1A1MEN1HTT
SCHEMBL11241755 0.73 CACNA2D1 (0.47) LMNACACNA2D1MAPTALDH1A1MEN1
SCHEMBL11484210 0.72 LMNA (0.42) LMNACACNA2D1MAPTALDH1A1MEN1

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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