SCHEMBL8632760

SCHEMBL8632760

O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccccc1Oc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.64
CA2 P00918 2/20 0.59
CA9 Q16790 2/20 0.59
NR1H2 P55055 1/20 0.55
KDM4E B2RXH2 2/20 0.49
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPK1 P28482 1/20 0.44
S100A4 P26447 2/20 0.43
PTPRC P08575 1/20 0.43
ATM Q13315 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
DDB1 Q16531 1/20 0.41

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
SCHEMBL9806801 0.92 LMNA (0.70) LMNACA2CA9NR1H2KDM4E
SCHEMBL9806781 0.84 LMNA (0.81) LMNACA2CA9KDM4ECYP1A2
SCHEMBL19950727 0.80 NR1H2 (0.67) NR1H2KDM4ESMN1; SMN2ALDH1A1MEN1
SCHEMBL11402428 0.78 KDM4E (0.61) LMNACA2CA9KDM4ECYP1A2
SCHEMBL4234504 0.78 LMNA (0.67) LMNACA2CA9KDM4ECYP1A2
SCHEMBL5151001 0.77 KDM4E (0.71) LMNACA2CA9KDM4ECYP1A2
SCHEMBL31259847 0.77 KDM4E (0.71) LMNACA2CA9KDM4ECYP1A2
SCHEMBL2300546 0.77 S100A4 (0.57) CA2CA9CA1SMN1; SMN2ALDH1A1
SCHEMBL9807394 0.74 LMNA (0.65) LMNACA2CA9NR1H2KDM4E
SCHEMBL29226172 0.73 NR1H2 (0.59) LMNANR1H2KDM4ESMN1; SMN2ALDH1A1

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
EP-0853635-A1 BRANCHED BLOCK ETHYLENE POLYMERS, THEIR PREPARATION AND COMPOSITIONS COMPRISING THE SAME THE DOW CHEMICAL COMPANY (US) 1998-07-22 EP disclosed
WO-1997012919-A1 BRANCHED BLOCK ETHYLENE POLYMERS, THEIR PREPARATION AND COMPOSITIONS COMPRISING THE SAME THE DOW CHEMICAL COMPANY (US) 1997-04-10 WO disclosed