SCHEMBL13433893

SCHEMBL13433893

O=C(OCc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C1CC=CO1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
PDE7A Q13946 1/20 0.35
PDE3A Q14432 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
HTT P42858 1/20 0.34
PTPN2 P17706 1/20 0.34
PTPN1 P18031 1/20 0.34
PTPN6 P29350 1/20 0.34
PTPN11 Q06124 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
ATM Q13315 1/20 0.34
HPGD P15428 1/20 0.34
LMNA P02545 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL13433892 0.79
SCHEMBL13586905 0.76 ALDH1A1 (0.48) POLBTDP1MAPTALDH1A1ATM
SCHEMBL13433785 0.75 PTPN2 (0.37) POLBPDE7APDE3ATDP1HTT
SCHEMBL13586906 0.73 ALDH1A1 (0.57) POLBTDP1MAPTALDH1A1ATM
SCHEMBL26260922 0.73 CYP3A4 (0.39) PDE7APDE3ATDP1HTTPTPN2
SCHEMBL25401543 0.73 CYP3A4 (0.39) PDE7APDE3ATDP1HTTPTPN2
SCHEMBL26260925 0.73 CYP3A4 (0.39) PDE7APDE3ATDP1HTTPTPN2
SCHEMBL21751863 0.72 ALDH1A1 (0.44) POLBTDP1MAPTALDH1A1ATM
SCHEMBL26260947 0.71 CYP3A4 (0.37) POLBTDP1HTTPTPN2PTPN1
SCHEMBL25400661 0.71 CYP3A4 (0.37) POLBTDP1HTTPTPN2PTPN1

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
WO-2010041665-A1 LIQUID CRYSTAL ALIGNING AGENT AND LIQUID CRYSTAL DISPLAY ELEMENT USING SAME 日産化学工業株式会社 (JP) 2010-04-15 WO disclosed