SCHEMBL28087293

SCHEMBL28087293

[CH2]CN(c1ccccc1)[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.44
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
CRHBP P24387 2/20 0.44
CRHR2 Q13324 2/20 0.44
TLR9 Q9NR96 2/20 0.44
ATM Q13315 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
MAPK1 P28482 2/20 0.36
S1PR4 O95977 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HPGD P15428 1/20 0.36
S1PR1 P21453 1/20 0.36
CCR6 P51684 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL6282927 0.82 ALDH1A1 (0.47) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL9541990 0.79 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL162872 0.78 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL11032368 0.78 ALDH1A1 (0.48) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL1135831 0.78 ESR1 (0.44) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL11745244 0.77 CRHBP (0.50) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL5880844 0.75 ALDH1A1 (0.46) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL8331506 0.75 ALDH1A1 (0.41) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL147785 0.75 ALDH1A1 (0.43) ALDH1A1KMT2AMEN1CRHBPCRHR2
SCHEMBL28066839 0.74 ALDH1A1 (0.40) ALDH1A1KMT2AMEN1CRHBPCRHR2

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
CN-102858940-B Delivery particles 宝洁公司 2017-05-03 CN disclosed
CN-103589530-B Delivery of particles 宝洁公司 2016-08-24 CN disclosed