SCHEMBL9755959

SCHEMBL9755959

COc1ccccc1C(=O)NN(C(=O)C#CC(C)(C)C)C(C)(C)C

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.48
CTSD P07339 1/20 0.47
STAT3 P40763 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TSHR P16473 2/20 0.43
KCNK3 O14649 1/20 0.43
KCNK9 Q9NPC2 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
HSD17B10 Q99714 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 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
SCHEMBL9756223 0.85 CTSD (0.48) ABCB1CTSDSTAT3NPC1RAB9A
SCHEMBL9756385 0.85 ABCB1 (0.47) ABCB1CTSDSTAT3NPC1RAB9A
SCHEMBL9756431 0.85 ABCB1 (0.50) ABCB1CTSDSTAT3NPC1RAB9A
SCHEMBL9756141 0.83 CTSD (0.46) ABCB1CTSDSTAT3NPC1RAB9A
SCHEMBL9755940 0.82 CTSD (0.44) ABCB1CTSDSTAT3SMN1; SMN2HPGD
SCHEMBL9714501 0.81 ABCB1 (0.60) ABCB1CTSD
SCHEMBL9755918 0.81 ABCB1 (0.54) ABCB1CTSDSTAT3NPC1RAB9A
SCHEMBL9756469 0.81 CTSD (0.43) ABCB1CTSDSTAT3SMN1; SMN2HPGD
SCHEMBL10772776 0.81 CTSD (0.43) ABCB1CTSDSTAT3NPC1RAB9A
SCHEMBL9755956 0.80 ABCB1 (0.46) ABCB1

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
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
EP-0234944-A1 Insecticidal N'-substituted-N-acyl-N'-alkylcarbonylhydrazines ROHM AND HAAS COMPANY (US) 1987-09-02 EP disclosed