SCHEMBL20512985

SCHEMBL20512985

O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Oc2ccc(C(=O)Nc3cccc(-c4nc5ccccc5[nH]4)c3)cc2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.87
KMT2A Q03164 7/20 0.87
MEN1 O00255 6/20 0.87
KDM4E B2RXH2 3/20 0.87
POLB P06746 3/20 0.87
RECQL P46063 2/20 0.87
NPC1 O15118 1/20 0.87
THRB P10828 1/20 0.87
RAB9A P51151 1/20 0.87
ATM Q13315 1/20 0.87
COMT P21964 2/20 0.84
MMP2 P08253 1/20 0.81
MMP9 P14780 1/20 0.81
MMP8 P22894 1/20 0.81
MMP13 P45452 1/20 0.81
TP53 P04637 5/20 0.76
SMN1; SMN2 Q16637 3/20 0.76
ALDH1A1 P00352 2/20 0.66
HPSE Q9Y251 1/20 0.65
LMNA P02545 1/20 0.64

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
SCHEMBL31578829 0.93 MAPT (1.00) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL2582594 0.93 MAPT (1.00) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL25215586 0.90 COMT (0.80) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL30445900 0.90 COMT (0.80) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL2250333 0.90 COMT (1.00) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL17498803 0.89 MAPT (0.91) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL17498773 0.88 MAPT (0.85) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL12113071 0.88 MAPT (0.89) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL16147976 0.84 MAPT (0.78) MAPTKMT2AMEN1KDM4EPOLB
SCHEMBL12010985 0.84 COMT (0.83) MAPTKMT2AMEN1KDM4EPOLB

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
EP-3381906-A1 COMPOUNDS FOR USE AS HEPARANASE INHIBITORS Leadiant Biosciences SA (CH) 2018-10-03 EP claimed