SCHEMBL4688693

SCHEMBL4688693

COc1ccccc1/C=C1/N=C(c2ccc([N+](=O)[O-])cc2)OC1=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.57
KMT2A Q03164 5/20 0.57
TNNI3 P19429 1/20 0.57
CRHBP P24387 1/20 0.57
TNNT2 P45379 1/20 0.57
TNNC1 P63316 1/20 0.57
CRHR2 Q13324 1/20 0.57
PLCG2 P16885 1/20 0.57
DAPK3 O43293 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.55
ALOX5 P09917 1/20 0.54
POLB P06746 1/20 0.50
MAPT P10636 4/20 0.48
ALDH1A1 P00352 3/20 0.48
KDM4E B2RXH2 1/20 0.48
F2 P00734 2/20 0.45
MASP2 O00187 2/20 0.45
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL15689597 1.00 MEN1 (0.57) MEN1KMT2ATNNI3CRHBPTNNT2
SCHEMBL4688695 1.00 MEN1 (0.57) MEN1KMT2ATNNI3CRHBPTNNT2
SCHEMBL6799467 0.90 ALOX5 (0.61) MEN1KMT2ATNNI3CRHBPTNNT2
SCHEMBL6799468 0.90 ALOX5 (0.61) MEN1KMT2ATNNI3CRHBPTNNT2
SCHEMBL30199710 0.89 PLCG2 (0.55) MEN1KMT2ATNNI3CRHBPTNNT2
SCHEMBL6793560 0.85 KMT2A (0.75) MEN1KMT2ATNNI3CRHBPTNNT2
SCHEMBL6793562 0.85 KMT2A (0.75) MEN1KMT2ATNNI3CRHBPTNNT2
SCHEMBL17176852 0.85 PLCG2 (0.61) MEN1KMT2ATNNI3CRHBPTNNT2
SCHEMBL6794623 0.82 MASP2 (0.62) MEN1KMT2ATNNI3CRHBPTNNT2
SCHEMBL6794620 0.82 MASP2 (0.62) MEN1KMT2ATNNI3CRHBPTNNT2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581496-A4 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES INC (US) 2008-04-23 EP disclosed
EP-1581496-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2005-10-05 EP disclosed
WO-2004050613-A2 2-SUBSTITUTED-3-PROPENAMIDE DERIVATIVES AND METHODS OF USING THE SAME GILEAD SCIENCES, INC. (US) 2004-06-17 WO disclosed