SCHEMBL5555845

SCHEMBL5555845

O=C=NC(=O)c1ccc(C(=O)N=C=O)cc1.O=C=NC(=O)c1cccc(C(=O)N=C=O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
FURIN P09958 1/20 0.36
MET P08581 1/20 0.36
KMT2A Q03164 4/20 0.35
MEN1 O00255 2/20 0.35
CES2 O00748 2/20 0.34
CES1 P23141 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL3395919 0.96 L3MBTL1 (0.43) TDP1L3MBTL1ATMFURINMET
Butanedione SCHEMBL28856348 0.88 FURIN (0.38) TDP1L3MBTL1ATMFURINMET
SCHEMBL3393415 0.87 TP53 (0.36) CES2CES1CA12CA1CA2
SCHEMBL11139683 0.85 CES1 (0.46) TDP1L3MBTL1ATMKMT2AMEN1
SCHEMBL84542 0.85 CES1 (0.46) TDP1L3MBTL1ATMKMT2AMEN1
Hydrochloric Acid SCHEMBL10824719 0.83 CES1 (0.44) TDP1L3MBTL1ATMKMT2AMEN1
SCHEMBL9117144 0.82 CES2 (0.57) L3MBTL1KMT2AMEN1CES2CES1
SCHEMBL4092403 0.82 PARP1 (0.53) TDP1KMT2AMEN1HDAC8HDAC6
SCHEMBL28864381 0.82 PARP1 (0.53) L3MBTL1KMT2AMEN1POLBKDM4E
SCHEMBL10792089 0.82 PARP1 (0.53) L3MBTL1KMT2AMEN1KDM4EALDH1A1

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-1778755-A1 POLYACYLURETHANES BASED ON DIISOCYANATES AND POLYESTERPOLYOLS STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2007-05-02 EP disclosed
WO-2006009443-A1 POLYACYLURETHANES BASED ON DIISOCYANATES AND POLYESTERPOLYOLS STICHTING VOOR DE TECHNISCHE WETENSCHAPPEN (NL) 2006-01-26 WO disclosed