SCHEMBL9879064

SCHEMBL9879064

O=[N+]([O-])c1cccc(C2=C3C=CC(=N3)C(c3cccc([N+](=O)[O-])c3)=C3C=CC(=N3)C(c3cccc([N+](=O)[O-])c3)=C3C=CC(=N3)C(c3cccc([N+](=O)[O-])c3)=C3C=CC2=N3)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.48
▸ TSHR P16473 1/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ MAPT P10636 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46
▸ IDO1 P14902 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.45
▸ MGAM O43451 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ SI P14410 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ MGAM2 Q2M2H8 1/20 0.44
▸ PSMB8 P28062 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
SCHEMBL8347105 0.96 RAB9A (0.50) LMNATSHRSMN1; SMN2MAPTRAB9A
SCHEMBL8183397 0.92 MAPT (0.50) LMNATSHRSMN1; SMN2MAPTRAB9A
SCHEMBL8186752 0.86 LMNA (0.38) LMNATSHRSMN1; SMN2MAPTRAB9A
SCHEMBL8355907 0.81 MAPK1 (0.47) LMNASMN1; SMN2MAPTRAB9ANPC1
SCHEMBL10587139 0.81 MAPK1 (0.47) LMNASMN1; SMN2MAPTRAB9ANPC1
SCHEMBL26097426 0.80 APP (0.43) LMNAMAPTRAB9ANPC1ALDH1A1
SCHEMBL28565652 0.76 ALDH1A1 (0.49) LMNASMN1; SMN2MAPTRAB9ANPC1
SCHEMBL28566541 0.76 ELANE (0.49) LMNASMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL6738366 0.75 TSHR (0.76) LMNATSHRSMN1; SMN2MAPTRAB9A
SCHEMBL27960535 0.75 ALDH1A1 (0.39) LMNASMN1; SMN2MAPTRAB9ANPC1

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
JP-3015044-A — — None — — JP disclosed
JP-H0315044-A OPTICAL RECORDING MEDIUM MITSUBISHI ELECTRIC CORP 1991-01-23 — — JP disclosed
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