SCHEMBL11468302

SCHEMBL11468302

CCN(CC)c1ccc(-c2nnc(SC)nc2-c2ccc(N(CC)CC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.58
▸ RECQL P46063 3/20 0.47
▸ HPGD P15428 2/20 0.47
▸ PTGES O14684 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ GAPDH P04406 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ NR4A1 P22736 1/20 0.39
▸ PTPN7 P35236 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ BLM P54132 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ MCL1 Q07820 1/20 0.39

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
SCHEMBL11483877 0.88 HPGD (0.50) NPSR1RECQLHPGDPTGESALDH1A1
SCHEMBL11485804 0.85 PTGES (0.53) NPSR1RECQLHPGDPTGESALDH1A1
SCHEMBL11479414 0.84 HPGD (0.44) NPSR1RECQLHPGDPTGESALDH1A1
SCHEMBL11470010 0.82 NPSR1 (0.64) NPSR1RECQLHPGDALDH1A1POLB
SCHEMBL11475303 0.81 PTGES (0.67) NPSR1RECQLHPGDPTGESALDH1A1
SCHEMBL10814630 0.79 NPSR1 (0.64) NPSR1RECQLHPGDPTGESALDH1A1
SCHEMBL11468269 0.79 ALDH1A1 (0.41) NPSR1RECQLHPGDALDH1A1LMNA
SCHEMBL11470519 0.78 LMNA (0.41) NPSR1RECQLHPGDPTGESALDH1A1
SCHEMBL11870230 0.78 ALDH1A1 (0.40) NPSR1RECQLHPGDALDH1A1LMNA
SCHEMBL1304925 0.78 ALDH1A1 (0.40) NPSR1RECQLHPGDALDH1A1LMNA

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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