SCHEMBL7082995

SCHEMBL7082995

N=C(N)[N]C(=O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
FABP5 Q01469 3/20 0.46
FABP7 O15540 2/20 0.46
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
EPHX2 P34913 1/20 0.44
HTR2A P28223 1/20 0.40
CASP3 P42574 2/20 0.37
HSD17B10 Q99714 1/20 0.36
MDM4 O15151 1/20 0.35
TP53 P04637 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
SCHEMBL2411830 0.88 KMT2A (0.52) KMT2AFABP5FABP7CA1CA2
SCHEMBL8516375 0.88 KMT2A (0.54) KMT2AFABP5FABP7CA1CA2
SCHEMBL17805715 0.81 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL113270 0.79 KMT2A (0.59) KMT2AFABP5FABP7CA1CA2
SCHEMBL29362617 0.79 KMT2A (0.59) KMT2AFABP5FABP7CA1CA2
SCHEMBL30042128 0.79 KMT2A (0.59) KMT2AFABP5FABP7CA1CA2
SCHEMBL6129269 0.78 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL16485222 0.78 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
SCHEMBL7943600 0.78 KMT2A (0.51) KMT2AFABP5FABP7CA1CA2
Hydrochloric Acid SCHEMBL1234617 0.78 KMT2A (0.57) KMT2AFABP5FABP7CA1CA2

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
WO-2003068807-A2 ECHINOCANDIN CYCLIC PEPTIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 WO disclosed