SCHEMBL9818009

SCHEMBL9818009

CC1=NN(c2ccc(Cl)cc2)C(=O)C1=CNc1ccc(F)cc1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 15/20 0.58
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
L3MBTL1 Q9Y468 2/20 0.52
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47
GAA P10253 1/20 0.47
SIRT5 Q9NXA8 1/20 0.46
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9525542 0.87 KMT2A (0.64) AMY1AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL9525818 0.82 MEN1 (0.55) AMY1AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL11244851 0.80 AMY1A (0.59) AMY1AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL9526187 0.79 AMY1A (0.57) AMY1AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL9524224 0.78 KMT2A (0.60) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL9524221 0.78 KMT2A (0.60) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL9524479 0.77 KDM4E (0.62) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL9524488 0.77 KDM4E (0.62) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL6951498 0.76 L3MBTL1 (0.54) AMY1AMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL6951495 0.76 L3MBTL1 (0.54) AMY1AMEN1KMT2AL3MBTL1ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028717-A Herbicidal and fungicidal agents based on substituted pyrazolin-5-one derivatives BAYER AKTIENGESELLSCHAFT (DE) 1991-07-02 US disclosed
US-4909827-A Containing a C6-10 aryl group substituted in position 1 BAYER AKTIENGESELLSCHAFT (DE) 1990-03-20 US disclosed
EP-0274642-A2 Herbicidal and fungicidal agents based on substituted pyrazolin-5-one derivatives BAYER AG (DE) 1988-07-20 EP disclosed