SCHEMBL7033019

SCHEMBL7033019

CCCCc1cc([SnH])c(CCCC)c(CCCC)c1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
MAPT P10636 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.33
KMT2A Q03164 1/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
HTT P42858 2/20 0.32
NPC1 O15118 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
RAB9A P51151 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
TSHR P16473 1/20 0.31

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
SCHEMBL10526558 0.85 ALDH1A1 (0.39) ALDH1A1TDP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL6763394 0.78 ALDH1A1 (0.46) ALDH1A1TDP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL27608627 0.73 ALDH1A1 (0.41) ALDH1A1TDP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL11792221 0.72 SKP2 (0.39) ALDH1A1TDP1MAPTSMN1; SMN2KMT2A
SCHEMBL1963149 0.72 TRPV1 (0.46) ALDH1A1TDP1MAPTKMT2AHTT
SCHEMBL28238159 0.72 ALDH1A1 (0.41) ALDH1A1TDP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL5586776 0.71 TYR (0.39) ALDH1A1TDP1MAPTSMN1; SMN2KMT2A
SCHEMBL27515202 0.71 ALDH1A1 (0.58) ALDH1A1TDP1MAPTSMN1; SMN2KMT2A
SCHEMBL4993974 0.70 TDP1 (0.42) ALDH1A1TDP1MAPTL3MBTL1SMN1; SMN2
SCHEMBL11515129 0.70 HTR2A (0.38) ALDH1A1TDP1L3MBTL1SMN1; SMN2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1067103-B1 Process for producing halogenated benzene compound SUMITOMO CHEMICAL CO (JP) 2003-03-12 EP disclosed
US-6307045-B1 REACTING AN ORGANOMETALLIC COMPOUND WITH A HALIDE ION UNDER LIGHT IRRADIATION CONDITIONS IN THE PRESENCE OF A SEMICONDUCTOR CATALYST WITH A PHOTOCATALYTIC ACTIVITY. SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-10-23 US disclosed
EP-1067103-A2 Process for producing halogenated benzene compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-01-10 EP disclosed