SCHEMBL27749596

SCHEMBL27749596

O=[N+]([O-])c1cc2sc3ccccc3c2c([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.42
▸ LMNA P02545 2/20 0.42
▸ HPGD P15428 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ GPR3 P46089 1/20 0.39
▸ TDP1 Q9NUW8 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ MAOA P21397 1/20 0.38
▸ MAOB P27338 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ S100A4 P26447 1/20 0.38
▸ SLC9A1 P19634 1/20 0.37
▸ HPRT1 P00492 1/20 0.37
▸ CASP6 P55212 1/20 0.37
▸ MAPK1 P28482 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
SCHEMBL156636 0.90 MAOA (0.48) CYP3A4LMNAHPGDMAPTPOLB
SCHEMBL31677913 0.83 LMNA (0.43) CYP3A4LMNAHPGDMAPTPOLB
SCHEMBL31478092 0.77 TDP1 (0.53) CYP3A4LMNAMAPTPOLBMEN1
SCHEMBL3293386 0.77 TDP1 (0.53) CYP3A4LMNAMAPTPOLBMEN1
SCHEMBL16231228 0.76 ALDH1A1 (0.44) CYP3A4LMNAMAPTMEN1KMT2A
SCHEMBL3466137 0.76 KMT2A (0.44) CYP3A4LMNAHPGDMAPTPOLB
SCHEMBL18645889 0.75 MAPT (0.42) CYP3A4LMNAHPGDMAPTPOLB
SCHEMBL17952462 0.75 MAPT (0.42) CYP3A4LMNAHPGDMAPTPOLB
SCHEMBL28027361 0.75 HPRT1 (0.50) CYP3A4MAPTTDP1ALDH1A1TSHR
SCHEMBL15127056 0.74 S100A4 (0.41) CYP3A4LMNAHPGDMAPTPOLB

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
CN-101430532-A Cleaning device, method of manufacturing the cleaning device, and process unit and image forming apparatus using same RICOH KK (JP) 2009-05-13 — — CN disclosed
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