SCHEMBL5353013

SCHEMBL5353013

N#CC(Cc1ccccc1)(N=Nc1ccc([N+](=O)[O-])cc1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 4/20 0.41
RAB9A P51151 4/20 0.41
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
MAPK1 P28482 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
PPARD Q03181 2/20 0.40
NPC1 O15118 3/20 0.40
TNNI3 P19429 1/20 0.40
TNNT2 P45379 1/20 0.40

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
SCHEMBL5353007 1.00 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2TDP1MAPTRAB9A
SCHEMBL5353011 0.95 PPARD (0.40) ALDH1A1SMN1; SMN2TDP1MAPTRAB9A
SCHEMBL491664 0.86 KMT2A (0.42) ALDH1A1SMN1; SMN2TDP1MAPTRAB9A
SCHEMBL491661 0.86 KMT2A (0.42) ALDH1A1SMN1; SMN2TDP1MAPTRAB9A
SCHEMBL491662 0.82 MAPT (0.40) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1
SCHEMBL19118250 0.75 PPARD (0.38) ALDH1A1SMN1; SMN2TDP1MAPTRAB9A
SCHEMBL19118249 0.75 PPARD (0.38) ALDH1A1SMN1; SMN2TDP1MAPTRAB9A
SCHEMBL5908428 0.75 PPARD (0.40) ALDH1A1SMN1; SMN2TDP1MAPTRAB9A
SCHEMBL28596819 0.73 MAPT (0.39) ALDH1A1SMN1; SMN2TDP1MAPTRAB9A
SCHEMBL19118252 0.73 PPARD (0.38) ALDH1A1SMN1; SMN2MAPTRAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021131395-A1 ADHESIVE AGENT COMPOSITION, LAYERED BODY, METHOD FOR PRODUCING LAYERED BODY, AND METHOD FOR PRODUCING ELECTRONIC COMPONENT 東京応化工業株式会社 2021-07-01 WO disclosed
US-8741528-B2 Electrostatic charge image developing toner, electrostatic charge image developer, toner cartridge, developer cartridge, process cartridge, image forming apparatus, and image forming method FUJI XEROX CO., LTD. (JP) 2014-06-03 US disclosed
US-20130252165-A1 ELECTROSTATIC CHARGE IMAGE DEVELOPING TONER, ELECTROSTATIC CHARGE IMAGE DEVELOPER, TONER CARTRIDGE, DEVELOPER CARTRIDGE, PROCESS CARTRIDGE, IMAGE FORMING APPARATUS, AND IMAGE FORMING METHOD FUJI XEROX CO., LTD. (JP) 2013-09-26 US disclosed
US-7303846-B2 Electrophotographic toner, process for producing the same, and process for forming image FUJI XEROX CO., LTD. (JP) 2007-12-04 US disclosed