SCHEMBL28064549

SCHEMBL28064549

Nc1c(C=O)ccc(Cl)c1Br

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.42
ALDH1A1 P00352 2/20 0.34
ERN1 O75460 5/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32
BLM P54132 1/20 0.32
TRIM24 O15164 1/20 0.31
TRIM33 Q9UPN9 1/20 0.31
CDC7 O00311 1/20 0.30
EEF2K O00418 1/20 0.30
PLK4 O00444 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
ROCK2 O75116 1/20 0.30
RPS6KA5 O75582 1/20 0.30
PRKD3 O94806 1/20 0.30
MAP4K4 O95819 1/20 0.30
INSR P06213 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
SCHEMBL20355032 0.79 ALDH1A1 (0.40) ALDH1A1
SCHEMBL28796538 0.78 TDP1 (0.45) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL3842233 0.78 TDP1 (0.45) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL27879491 0.78 TDP1 (0.35) TDP1ERN1MEN1KMT2ALMNA
SCHEMBL10989431 0.77 TDP1 (0.43) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL23835305 0.75 ERN1 (0.46) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL30151958 0.75 ERN1 (0.46) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL9712540 0.75 TDP1 (0.42) TDP1ALDH1A1ERN1MEN1KMT2A
SCHEMBL14126643 0.75 TDP1 (0.42) TDP1ALDH1A1MEN1KMT2ALMNA
SCHEMBL24358167 0.75 TDP1 (0.42) TDP1ALDH1A1ERN1MEN1KMT2A

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-105658642-A Fibroblast growth factor receptor inhibitors 蓝图药品公司 2016-06-08 CN disclosed