SCHEMBL11226152

SCHEMBL11226152

O=C(Oc1ccccc1)Oc1ccc(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 2/20 0.50
APP P05067 1/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 2/20 0.47
HTT P42858 1/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.46
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
PDE7B Q9NP56 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK1 P28482 1/20 0.45
KIF18A Q8NI77 1/20 0.45
HPSE Q9Y251 1/20 0.44

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
SCHEMBL11226456 0.83 ALDH1A1 (0.50) MAPTALDH1A1HTTLMNASMN1; SMN2
SCHEMBL5704376 0.82 KMT2A (0.54) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL27727201 0.82 MAPT (0.52) PDE7AAPPKMT2AMAPTHPGD
SCHEMBL31090820 0.81 PDE7A (0.73) PDE7AMEN1KMT2AMAPTALDH1A1
SCHEMBL2020498 0.81 PDE7A (0.73) PDE7AMEN1KMT2AMAPTALDH1A1
SCHEMBL27633813 0.78 SMN1; SMN2 (0.54) PDE7AMEN1KMT2AMAPTALDH1A1
SCHEMBL9062019 0.78 LMNA (0.49) MEN1KMT2AMAPTALDH1A1HPGD
SCHEMBL7683695 0.77 KDM4E (0.52) PDE7AMEN1KMT2AMAPTALDH1A1
SCHEMBL11227633 0.76 MAPT (0.45) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL7683703 0.76 ALDH1A1 (0.49) PDE7AAPPMEN1KMT2AMAPT

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
US-4363905-A PHASE TRANSFER CATALYST GENERAL ELECTRIC COMPANY (US) 1982-12-14 US disclosed
US-4316981-A Polycarbonate transesterification GENERAL ELECTRIC COMPANY (US) 1982-02-23 US disclosed