SCHEMBL12200946

SCHEMBL12200946

c1ccc(COc2cccc3c2-c2nc-3nc3[nH]c(nc4nc(nc5[nH]c(n2)c2cccc(OCc6ccccc6)c52)-c2cccc(OCc5ccccc5)c2-4)c2cccc(OCc4ccccc4)c32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.42
▸ PDE4A P27815 1/20 0.42
▸ PDE4B Q07343 1/20 0.42
▸ PDE4C Q08493 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ BRD4 O60885 2/20 0.42
▸ DCPS Q96C86 1/20 0.40
▸ IDO1 P14902 1/20 0.38
▸ ADORA3 P0DMS8 1/20 0.38
▸ LTA4H P09960 1/20 0.38
▸ PLA2G2A P14555 1/20 0.38
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ SGMS2 Q8NHU3 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ PIK3CG P48736 1/20 0.37
▸ MRGPRX4 Q96LA9 1/20 0.37
▸ DHODH Q02127 1/20 0.37

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
SCHEMBL12227585 0.88 DCPS (0.41) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL28585857 0.83 ALDH1A1 (0.40) BRD4IDO1ADORA3MAPTALDH1A1
SCHEMBL12200944 0.80 MAOA (0.40) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL633608 0.80 BRD4 (0.34) BRD4MAPTMAPK1TDP1MAPK13
SCHEMBL14198397 0.79 PDE5A (0.38) PDE5APDE4APDE4BPDE4CPDE4D
SCHEMBL14610187 0.78 LMNA (0.39) MAPTMAPK1TDP1ALDH1A1
Hydrochloric Acid SCHEMBL3136757 0.78 BRD4 (0.33) BRD4MAPTMAPK1TDP1MAPK13
SCHEMBL785277 0.77 LMNA (0.33) MAPTMAPK1TDP1ALDH1A1GAA
SCHEMBL5972535 0.74 MEN1 (0.36) MAPTMAPK1TDP1L3MBTL1ALDH1A1
SCHEMBL9360821 0.74 BRD4 (0.33) BRD4MAPTMAPK1

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-8034531-B2 Photosensitive resin composition comprising a halogen-free colorant BASF SE (DE) 2011-10-11 — — US disclosed
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