SCHEMBL11477773

SCHEMBL11477773

CCOc1ccc(-c2nnc(SC)nc2-c2ccc(OCC)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.58
▸ MAPT P10636 4/20 0.54
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 2/20 0.51
▸ NPC1 O15118 1/20 0.50
▸ MITF O75030 1/20 0.50
▸ PKM P14618 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.50
▸ PTGES O14684 3/20 0.49
▸ CACNA2D1 P54289 1/20 0.45
▸ NQO1 P15559 1/20 0.44
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2C19 P33261 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 0.94 PTGES (0.57) NPSR1MAPTLMNATP53NPC1
SCHEMBL11232062 0.88 NPSR1 (0.55) NPSR1MAPTLMNATP53NPC1
SCHEMBL11476250 0.86 MAPT (0.59) MAPTLMNATP53NPC1PKM
SCHEMBL11475990 0.84 PTGES (0.62) MAPTLMNATP53NPC1PKM
SCHEMBL11466969 0.84 MAPT (0.54) MAPTLMNATP53NPC1MITF
SCHEMBL11240864 0.82 NPSR1 (0.64) NPSR1MAPTLMNATP53NPC1
SCHEMBL11467226 0.80 NPSR1 (0.47) NPSR1MAPTLMNANPC1RAB9A
SCHEMBL11485827 0.79 PTGES (0.79) MAPTLMNATP53RAB9AL3MBTL1
SCHEMBL13108709 0.79 ALDH1A1 (0.53) NPSR1MAPTTP53NPC1RAB9A
SCHEMBL11247874 0.79 CACNA2D1 (0.55) MAPTTP53NPC1RAB9ASMN1; SMN2

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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