SCHEMBL8501006

SCHEMBL8501006

CC(=O)c1ccc2c(c1)N(C)c1ccccc1S2.CN1c2ccccc2Sc2ccc(Cl)cc21.O=C(O)CCN1c2ccccc2Sc2c(C(=O)O)cccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 6/20 0.55
▸ MAPT P10636 4/20 0.55
▸ MAPK1 P28482 3/20 0.55
▸ TDP1 Q9NUW8 3/20 0.55
▸ L3MBTL1 Q9Y468 1/20 0.55
▸ NOX1 Q9Y5S8 1/20 0.55
▸ MEN1 O00255 5/20 0.48
▸ KMT2A Q03164 5/20 0.48
▸ HTR1A P08908 5/20 0.47
▸ DRD2 P14416 5/20 0.47
▸ SLC6A2 P23975 4/20 0.47
▸ SLC6A4 P31645 4/20 0.47
▸ ADRA1A P35348 4/20 0.47
▸ DRD3 P35462 4/20 0.47
▸ SLC6A3 Q01959 4/20 0.47
▸ KCNH2 Q12809 4/20 0.47
▸ CYP1A2 P05177 4/20 0.47
▸ CYP2D6 P10635 4/20 0.47
▸ ADRA2A P08913 3/20 0.47
▸ DRD1 P21728 3/20 0.47

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
SCHEMBL6262710 0.80 MEN1 (0.71) LMNAMAPTMEN1KMT2AFNTA
SCHEMBL6843471 0.78 LMNA (0.76) LMNAMAPTMAPK1TDP1MEN1
SCHEMBL1983443 0.74 NOX1 (1.00) LMNAMAPTMAPK1TDP1L3MBTL1
SCHEMBL7566877 0.72 HTR1A (0.70) LMNAMAPTMAPK1TDP1L3MBTL1
SCHEMBL628325 0.72 MAOA (0.55) LMNAMAPTMAPK1TDP1L3MBTL1
SCHEMBL8869747 0.71 LMNA (0.64) LMNAMAPTMAPK1TDP1MEN1
SCHEMBL31014072 0.69 MEN1 (1.00) LMNAMAPTMEN1KMT2AFNTA
SCHEMBL179882 0.69 MEN1 (1.00) LMNAMAPTMEN1KMT2AFNTA
SCHEMBL628328 0.69 MAOA (0.68) LMNAMAPTMAPK1TDP1L3MBTL1
SCHEMBL8520671 0.69 ITGB2 (0.62) LMNAMAPTMAPK1TDP1MEN1

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
US-5965510-A USING AGENT COMPRISING AN ORGANIC CHEMICAL COMPOUND CONSISTING OF AT LEAST TWO AROMATIC RINGS, OF WHICH AROMATIC RINGS AT LEAST ONE RING IS SUBSTITUTED WITH NITROGEN AND OXYGEN OR SULFUR; WASHING, BLEACHING NOVO NORDISK A/S (DK) 1999-10-12 — — US claimed
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