SCHEMBL9756385

SCHEMBL9756385

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

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.47
HPGD P15428 2/20 0.45
ALDH1A1 P00352 1/20 0.45
CTSD P07339 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.43
STAT3 P40763 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 1/20 0.42
KCNK3 O14649 2/20 0.42
KCNK9 Q9NPC2 2/20 0.42
TSHR P16473 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KCNA3 P22001 1/20 0.41

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
SCHEMBL10772776 0.85 CTSD (0.43) ABCB1HPGDALDH1A1CTSDSTAT3
SCHEMBL9755959 0.85 ABCB1 (0.48) ABCB1HPGDCTSDSTAT3NPC1
SCHEMBL9756223 0.83 CTSD (0.48) ABCB1HPGDCTSDSTAT3NPC1
SCHEMBL9756431 0.83 ABCB1 (0.50) ABCB1CTSDSTAT3NPC1RAB9A
SCHEMBL9756141 0.81 CTSD (0.46) ABCB1HPGDCTSDSTAT3NPC1
SCHEMBL9756382 0.81 ABCB1 (0.44) ABCB1
SCHEMBL9756371 0.80 POLB (0.60)
SCHEMBL9755940 0.80 CTSD (0.44) ABCB1HPGDALDH1A1CTSDSTAT3
SCHEMBL9755918 0.79 ABCB1 (0.54) ABCB1HPGDCTSDSTAT3NPC1
SCHEMBL9714501 0.79 ABCB1 (0.60) ABCB1CTSD

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