SCHEMBL7365875

SCHEMBL7365875

CC(C(=O)O)N(CCc1ccc(N)cc1)c1cccc(C=NN)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
PPARG P37231 1/20 0.32
LTB4R Q15722 1/20 0.32
LTB4R2 Q9NPC1 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
EPOR P19235 1/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ITGB1 P05556 2/20 0.31
ITGA5 P08648 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL7361085 0.95 PPARG (0.36) CA1CA2CA7CA9PPARG
SCHEMBL7360137 0.94 CA1 (0.36) CA1CA2CA7CA9PPARG
SCHEMBL7365378 0.92 LTB4R (0.38) CA1CA2CA9PPARGLTB4R
SCHEMBL7443741 0.83 F2 (0.46)
SCHEMBL7362906 0.81 PPARG (0.34) CA1CA2CA7CA9PPARG
SCHEMBL7450977 0.80 MMP3 (0.41)
SCHEMBL7434543 0.79 F2 (0.48)
SCHEMBL7364865 0.77 SMN1; SMN2 (0.39) CA1CA2CA7CA9MEN1
SCHEMBL7357764 0.75 MMP3 (0.42)
SCHEMBL7363751 0.72 F2 (0.42) CA1CA2CA7CA9CYP19A1

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
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed