SCHEMBL22754453

SCHEMBL22754453

NNCCCOc1ccc([N+](=O)[O-])c(C2OCCO2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 12/20 0.41
TDP1 Q9NUW8 3/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
ALDH1A1 P00352 4/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 4/20 0.37
MAPK1 P28482 2/20 0.37
PKM P14618 1/20 0.37
POLB P06746 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALPG P10696 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
HTR6 P50406 2/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL7438718 0.81 FFAR4 (0.43) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL22522163 0.81 SIRT5 (0.39) MAPTTDP1KMT2AMEN1HPGD
SCHEMBL10656431 0.78 ALDH1A1 (0.47) MAPTTDP1KMT2AMEN1HPGD
SCHEMBL2476070 0.76 NPC1 (0.47) MAPTKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL10657383 0.71 PRMT5 (0.37) MAPTTDP1KMT2AMEN1ALDH1A1
SCHEMBL20476341 0.69 MERTK (0.48) MAPTKMT2AMEN1LMNAMAPK1
SCHEMBL17395909 0.69 TDP1 (0.51) MAPTTDP1KMT2AMEN1ALDH1A1
SCHEMBL20328777 0.69 TSHR (0.53) MAPTKMT2AALDH1A1POLBKDM4E
SCHEMBL44775 0.69 MAPK1 (0.51) MAPTKMT2AMEN1ALDH1A1LMNA
SCHEMBL29404173 0.69 HTT (0.40) MAPTALDH1A1MAPK1PKMRAB9A

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
EP-3450471-B1 POLYMER COMPOUND AND METHOD FOR MANIPULATING CELL USING SAME AIST (JP) 2020-12-09 EP disclosed