SCHEMBL11420145

SCHEMBL11420145

CCOC(=O)c1cc(=O)n(-c2ccc(Cl)c(Cl)c2)[nH]1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
KDM4E B2RXH2 1/20 0.61
NOTUM Q6P988 1/20 0.53
MAPT P10636 2/20 0.48
HTT P42858 2/20 0.48
MEN1 O00255 2/20 0.48
GAA P10253 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
MAPK1 P28482 1/20 0.48
ALKBH5 Q6P6C2 8/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
CASP3 P42574 1/20 0.43
TP53 P04637 1/20 0.43
BAZ2B Q9UIF8 1/20 0.42
BAZ2A Q9UIF9 1/20 0.42

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
SCHEMBL11426196 0.87 KDM4E (0.71) ALDH1A1KDM4EMAPTHTTMEN1
SCHEMBL11426665 0.85 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTHTTMEN1
SCHEMBL5527198 0.84 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTHTTMEN1
SCHEMBL10755227 0.82 ALDH1A1 (0.57) ALDH1A1KDM4EMAPTHTTMEN1
SCHEMBL2229684 0.81 MAPT (0.62) ALDH1A1KDM4EMAPTHTTMEN1
SCHEMBL11420507 0.81 ALDH1A1 (0.78) ALDH1A1KDM4EMAPTLMNASMN1; SMN2
SCHEMBL9196875 0.81 ALDH1A1 (0.62) ALDH1A1KDM4EMAPTHTTMEN1
SCHEMBL11420534 0.80 ALDH1A1 (0.68) ALDH1A1KDM4EMAPTHTTMEN1
SCHEMBL9507900 0.79 ALKBH5 (0.72) ALDH1A1KDM4ENOTUMMAPTMEN1
SCHEMBL10405696 0.79 ALDH1A1 (0.54) ALDH1A1KDM4EMAPTHTTMEN1

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-4234481-A POLYESTER FABRICS; INKS CROMPTON & KNOWLES CORPORATION (US) 1980-11-18 US disclosed