SCHEMBL7673771

SCHEMBL7673771

CNc1ccccc1C(=O)NC(C)CC(=O)O

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
KDM4E B2RXH2 4/20 0.46
POLB P06746 2/20 0.46
ATM Q13315 1/20 0.46
ADRA1A P35348 2/20 0.45
ALDH1A1 P00352 3/20 0.45
HPGD P15428 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
KCNA3 P22001 1/20 0.42
ADRA1D P25100 1/20 0.42
ADRA1B P35368 1/20 0.42
CGAS Q8N884 1/20 0.42
KCNA5 P22460 1/20 0.42
PKM P14618 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
SCHEMBL7667385 0.85 KDM4E (0.51) KMT2AMEN1KDM4EPOLBATM
SCHEMBL1114965 0.81 KDM4E (0.62) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL13761443 0.80 KDM4E (0.59) KMT2AMEN1KDM4EPOLBATM
SCHEMBL7325460 0.80 PTPRC (0.38) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL9829253 0.78 PLK1 (0.55) KMT2AMEN1KDM4EALDH1A1HPGD
SCHEMBL7670820 0.77 RAB9A (0.63) KMT2AMEN1ALDH1A1HPGDHTT
SCHEMBL24344002 0.77 GRN (0.51)
SCHEMBL7660852 0.76 ALDH1A1 (0.44) KMT2AMEN1KDM4EPOLBATM
SCHEMBL1115007 0.76 ALDH1A1 (0.53) KMT2AMEN1KDM4EPOLBALDH1A1
SCHEMBL300104 0.76 KDM4E (0.46) KDM4EPOLBATMALDH1A1HPGD

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-6348614-B1 PROTECTING CROPS AGAINST PLANT DISEASES AGROGENE LTD. (IL) 2002-02-19 US disclosed
EP-0948481-A1 AMINOBUTYRIC ACID FUNGICIDES Agrogene Ltd. (IL) 1999-10-13 EP disclosed
WO-1998029387-A1 AMINOBUTYRIC ACID FUNGICIDES AGROGENE LTD. (IL) 1998-07-09 WO disclosed