SCHEMBL9806801

SCHEMBL9806801

O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1ccccc1Oc1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.70
CA2 P00918 3/20 0.64
CA9 Q16790 3/20 0.64
KDM4E B2RXH2 1/20 0.53
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CA12 O43570 2/20 0.50
CA1 P00915 2/20 0.50
ALDH1A1 P00352 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
MAPK1 P28482 1/20 0.49
S100A4 P26447 2/20 0.47
PTPRC P08575 1/20 0.47
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
NR1H2 P55055 1/20 0.44
DDB1 Q16531 1/20 0.44
CRBN Q96SW2 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
SCHEMBL8632760 0.92 LMNA (0.64) LMNACA2CA9KDM4ECYP1A2
SCHEMBL9806781 0.89 LMNA (0.81) LMNACA2CA9KDM4ECYP1A2
SCHEMBL4234504 0.79 LMNA (0.67) LMNACA2CA9KDM4ECYP1A2
SCHEMBL31259847 0.79 KDM4E (0.71) LMNACA2CA9KDM4ECYP1A2
SCHEMBL5151001 0.79 KDM4E (0.71) LMNACA2CA9KDM4ECYP1A2
SCHEMBL9807394 0.78 LMNA (0.65) LMNACA2CA9KDM4ECYP1A2
SCHEMBL9806804 0.77 ALDH1A1 (0.48) LMNACA2CA9KDM4ECYP1A2
SCHEMBL2890255 0.77 KMT2A (0.56) KDM4EALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL11402428 0.77 KDM4E (0.61) LMNACA2CA9KDM4ECYP1A2
SCHEMBL5846779 0.76 LMNA (0.61) LMNACA2CA9KDM4ECA12

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
US-5061780-A Poly(ether-bis-imide-spiro dilactam) polymer SHELL OIL COMPANY (US) 1991-10-29 US disclosed