SCHEMBL9756078

SCHEMBL9756078

COc1ccccc1C(=O)NN(C(=O)C1CCC1)C(C)(C)C

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CTSD P07339 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
STAT3 P40763 1/20 0.44
FAAH O00519 1/20 0.43
CNR2 P34972 1/20 0.43
HPGD P15428 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
SCHEMBL9755927 0.98 MEN1 (0.48) ABCB1MEN1KMT2ACTSDTDP1
SCHEMBL9755843 0.96 KMT2A (0.50) ABCB1MEN1KMT2ACTSDTDP1
SCHEMBL9756356 0.96 KMT2A (0.50) ABCB1MEN1KMT2ACTSDTDP1
SCHEMBL9755884 0.96 KMT2A (0.50) ABCB1MEN1KMT2ACTSDTDP1
SCHEMBL9755863 0.96 ABCB1 (0.50) ABCB1CTSDTDP1STAT3FAAH
SCHEMBL9756077 0.81 HPGD (0.49) ABCB1MEN1KMT2AHPGD
SCHEMBL9755918 0.80 ABCB1 (0.54) ABCB1CTSDSTAT3HPGD
SCHEMBL9714501 0.80 ABCB1 (0.60) ABCB1CTSD
SCHEMBL9755965 0.79 POLB (0.61)
SCHEMBL9756431 0.79 ABCB1 (0.50) ABCB1CTSDSTAT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0234944-B1 INSECTICIDAL N'-SUBSTITUTED-N-ACYL-N'-ALKYLCARBONYLHYDRAZINES ROHM AND HAAS COMPANY (US) 1991-04-10 EP disclosed
EP-0232075-B1 INSECTICIDAL N'-SUBSTITUTED-N-ALKYLCARBONYL-N'-ACYL HYDRAZINES ROHM AND HAAS COMPANY (US) 1991-03-13 EP disclosed