SCHEMBL28068239

SCHEMBL28068239

Nc1cc(C=O)c(N)c(C=O)c1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36
THRB P10828 1/20 0.36
BLM P54132 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 3/20 0.35
CYP3A4 P08684 2/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
ERN1 O75460 9/20 0.33
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 1/20 0.30

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
SCHEMBL6901379 0.87 MEN1 (0.32) TDP1LMNAMEN1THRBBLM
SCHEMBL28387342 0.80 TDP1 (0.35) TDP1LMNAMEN1THRBBLM
SCHEMBL9218249 0.74 LMNA (0.31) TDP1LMNAMEN1THRBBLM
SCHEMBL14877337 0.72 ALDH1A1 (0.38) TDP1LMNAMEN1KMT2AALDH1A1
SCHEMBL27819554 0.72 ERN1 (0.46) LMNATHRBMAPTERN1
SCHEMBL27915781 0.72 ERN1 (0.47) ERN1
SCHEMBL11664879 0.72 LMNA (0.46) TDP1LMNAMEN1THRBBLM
SCHEMBL29139204 0.71 KMT2A (0.58) TDP1LMNAMEN1THRBBLM
SCHEMBL135290 0.70 TDP1 (0.40) TDP1LMNAMEN1THRBBLM
SCHEMBL8693955 0.70 ALDH1A1 (0.41) TDP1LMNAMEN1THRBBLM

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
CN-105694029-A Poly(isophthaloyl p-phenylenediamine) and interfacial polycondensation based preparation method thereof 南华大学 2016-06-22 CN disclosed