SCHEMBL9755900

SCHEMBL9755900

COc1ccccc1C(=O)NN(C(=O)CCc1ccccc1)C(C)(C)C

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
GLA P06280 1/20 0.52
HPGD P15428 1/20 0.52
CTSD P07339 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.47
ABCB1 P08183 1/20 0.47
LMNA P02545 1/20 0.46
GPR52 Q9Y2T5 1/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL9756165 0.93 HPGD (0.50) TP53GLAHPGDCTSDL3MBTL1
SCHEMBL9756050 0.92 HPGD (0.49) TP53GLAHPGDCTSDL3MBTL1
SCHEMBL9755919 0.88 HPGD (0.54) TP53GLAHPGDCTSDMEN1
SCHEMBL9756010 0.86 CTSD (0.51) TP53GLAHPGDCTSDNPC1
SCHEMBL9756349 0.85 CTSD (0.55) TP53GLAHPGDCTSDNPC1
SCHEMBL9756462 0.84 CTSD (0.49) TP53HPGDCTSDNPC1ABCB1
SCHEMBL9755957 0.84 LMNA (0.46) CTSDABCB1LMNA
SCHEMBL9756329 0.83 CTSD (0.48) TP53CTSDNPC1ABCB1RAB9A
SCHEMBL9756028 0.82 CTSD (0.47) CTSDABCB1SMN1; SMN2
SCHEMBL9755948 0.82 CTSD (0.47) CTSDABCB1SMN1; SMN2

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