SCHEMBL2759567

SCHEMBL2759567

CN1C(=O)CNC(=O)c2cc(I)ccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.53
BRPF1 P55201 1/20 0.45
TDP2 O95551 2/20 0.37
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
TGM2 P21980 1/20 0.37
CES1 P23141 1/20 0.37
CA12 O43570 1/20 0.36
CA9 Q16790 1/20 0.36
CLK4 Q9HAZ1 3/20 0.35
DAPK3 O43293 1/20 0.35
NTRK1 P04629 1/20 0.35
PIM1 P11309 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35
ROCK1 Q13464 1/20 0.35
APP P05067 1/20 0.35
HDAC8 Q9BY41 2/20 0.35
HDAC6 Q9UBN7 2/20 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
SCHEMBL14481009 0.83 GABRA1 (0.50) BRPF1PABPC1APOBEC3AAPOBEC3GTGM2
SCHEMBL4818630 0.81 GABRA1 (0.45) BRPF1PABPC1APOBEC3AAPOBEC3GCLK4
SCHEMBL7002012 0.81 NR1H2 (0.48) BRPF1PABPC1APOBEC3AAPOBEC3GCLK4
SCHEMBL607738 0.81 LMNA (0.51) BRPF1CA12CA9NTRK1FLT3
SCHEMBL21760179 0.81 BRPF1 (0.60) CASP3BRPF1PABPC1APOBEC3AAPOBEC3G
SCHEMBL14552559 0.78 CLK4 (0.46) BRPF1PABPC1APOBEC3AAPOBEC3GCLK4
SCHEMBL1364964 0.77 BRPF1 (0.64) CASP3BRPF1PABPC1APOBEC3AAPOBEC3G
SCHEMBL7556897 0.77 CASP3 (0.57) CASP3BRPF1TDP2GABRA1GABRG2
Ammonia Solution, Strong SCHEMBL9389187 0.76 BRPF1 (0.62) CASP3BRPF1PABPC1APOBEC3AAPOBEC3G
SCHEMBL30833278 0.76 CASP3 (0.57) CASP3TDP2GSK3BAPPGABRA1

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
US-8088759-B2 1,4-benzodiazepine-2,5-diones with therapeutic properties THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-01-03 US disclosed