SCHEMBL7386151

SCHEMBL7386151

CC(C(=O)OC1CC(=O)NC1=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.46
GAA P10253 4/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.42
SLC6A3 Q01959 1/20 0.40
RAB9A P51151 1/20 0.40
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL7389627 0.83 CYP19A1 (0.42) GAAALDH1A1MAPT
SCHEMBL7385948 0.82 CYP19A1 (0.41) KMT2AGAARAB9ATP53
SCHEMBL7379476 0.80 CYP19A1 (0.40)
SCHEMBL7378709 0.80 PTGS2 (0.47)
SCHEMBL9838641 0.79 PTPN2 (0.53) KMT2AALDH1A1MAPT
SCHEMBL4035788 0.76 HTR2A (0.47) ALDH1A1MAPTRAB9A
SCHEMBL10379523 0.74 CYP19A1 (0.63) KMT2AGAAALDH1A1MAPTSLC6A3
SCHEMBL10608166 0.72 CYP17A1 (0.56) KMT2AGAAALDH1A1MAPTSLC6A3
SCHEMBL427393 0.72 KMT2A (0.56) KMT2AGAAMAPTSLC6A3RAB9A
SCHEMBL1345244 0.72 KMT2A (0.56) KMT2AGAAMAPTSLC6A3RAB9A

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-5281617-A Enzyme inhibitor CORTECH, INC. (US) 1994-01-25 US claimed
US-5281617-A Enzyme inhibitor CORTECH, INC. (US) 1994-01-25 US disclosed