SCHEMBL7978138

SCHEMBL7978138

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

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.44
MMP2 P08253 2/20 0.42
ANPEP P15144 2/20 0.42
ALDH1A1 P00352 2/20 0.42
PIK3CD O00329 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
CTSD P07339 1/20 0.40

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
SCHEMBL14682635 0.83 MEN1 (0.42) KMT2AMEN1MMP2ANPEPALDH1A1
SCHEMBL1121964 0.82 ANPEP (0.50) KMT2AMEN1MMP2ANPEPALDH1A1
SCHEMBL12284558 0.82 ANPEP (0.50) KMT2AMEN1MMP2ANPEPALDH1A1
SCHEMBL7979807 0.81 KMT2A (0.54) KMT2AMEN1HPGDMAPTHTT
SCHEMBL7982334 0.81 KMT2A (0.54) KMT2AMEN1HPGDMAPTHTT
SCHEMBL10469253 0.81 MEN1 (0.48) KMT2AMEN1MMP2ANPEPALDH1A1
SCHEMBL14280062 0.81 KMT2A (0.47) KMT2AMEN1HPGDALDH1A1KDM4E
SCHEMBL7968263 0.80 KMT2A (0.39) KMT2AHPGDMMP2ANPEPALDH1A1
SCHEMBL9310097 0.79 MAPT (0.41) KMT2AMEN1MMP2ANPEPALDH1A1
SCHEMBL7985048 0.79 GAA (0.43) KMT2AMEN1MMP2ANPEPALDH1A1

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