SCHEMBL7968263

SCHEMBL7968263

COC(=O)[C@H]1C[C@@H](O[Si](C)(C)C(C)(C)C)CN1C(=O)c1ccccc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
HPGD P15428 1/20 0.38
MMP2 P08253 1/20 0.37
ANPEP P15144 1/20 0.37
HTT P42858 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 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
SCHEMBL17231208 0.86 MMP2 (0.34) MMP2ANPEPTDP1MAPT
SCHEMBL7981677 0.82 CTSL (0.39) KMT2AMMP2ANPEPNPSR1TDP1
SCHEMBL7978138 0.80 KMT2A (0.45) KMT2AHPGDMMP2ANPEPHTT
SCHEMBL17476471 0.78 KDM4E (0.39) KMT2AHPGDMMP2ANPEPKDM4E
SCHEMBL17476470 0.78 KDM4E (0.39) KMT2AHPGDMMP2ANPEPKDM4E
SCHEMBL19175459 0.77 KMT2A (0.52) KMT2AHPGDHTTKDM4EMAPT
SCHEMBL19035896 0.77 MMP2 (0.37) KMT2AHPGDMMP2ANPEPHTT
SCHEMBL20248626 0.77 MAPT (0.35) KMT2AMMP2ANPEPTDP1KDM4E
SCHEMBL18313952 0.76 KDM4E (0.41) KMT2AHPGDHTTKDM4EALDH1A1
SCHEMBL9520614 0.75 MMP2 (0.43) HPGDMMP2ANPEPHTTTDP1

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-6225306-B1 PYRROLO(1,2A)QUINOXALINES WAKAMOTO PHARMACEUTICAL CO., LTD. (JP) 2001-05-01 US disclosed