SCHEMBL7757179

SCHEMBL7757179

c1ccc(/N=N/N(c2ncnc(N(/N=N/c3ccccc3)c3cccc4ccccc34)n2)c2cccc3ccccc23)cc1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.35
▸ SIGMAR1 Q99720 8/20 0.34
▸ HTR1B P28222 2/20 0.31
▸ HTR1D P28221 1/20 0.31
▸ SLC6A4 P31645 3/20 0.31
▸ HRH1 P35367 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30
▸ SLC6A2 P23975 1/20 0.30
▸ NR4A1 P22736 1/20 0.30
▸ NR4A2 P43354 1/20 0.30
▸ NR4A3 Q92570 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
SCHEMBL7757181 1.00 THRB (0.35) THRBSIGMAR1HTR1BHTR1DSLC6A4
SCHEMBL7758500 0.74 CYP1A2 (0.41) SIGMAR1SLC6A4ALDH1A1MEN1MAPT
SCHEMBL7758508 0.74 CYP1A2 (0.41) SIGMAR1SLC6A4ALDH1A1MEN1MAPT
SCHEMBL28060655 0.67 POLB (0.50) SIGMAR1ALDH1A1MEN1MAPTMAPK1
SCHEMBL5618506 0.66 ALDH1A1 (0.37) ALDH1A1MEN1NPC1MAPTMAPK1
SCHEMBL11805757 0.64 SIGMAR1 (0.38) SIGMAR1ALDH1A1MAPTMAPK1KMT2A
SCHEMBL27615944 0.64 SIGMAR1 (0.41) SIGMAR1ALDH1A1MAPTTDP1L3MBTL1
SCHEMBL5183874 0.63 SIGMAR1 (0.47) THRBSIGMAR1ALDH1A1MAPTTDP1
SCHEMBL31426783 0.63 SIGMAR1 (0.47) THRBSIGMAR1ALDH1A1MAPTTDP1
SCHEMBL3324093 0.63 NR4A1 (0.47) THRBSIGMAR1ALDH1A1MEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1081196-A1 Process for colouring and printing polyamid containing materials Ciba SC Holding AG (CH) 2001-03-07 — — EP disclosed
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