SCHEMBL9755989

SCHEMBL9755989

Cc1cccc(C(=O)NN(C(=O)CCc2ccccc2)C(C)(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.60
RAB9A P51151 2/20 0.56
NPC1 O15118 1/20 0.56
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.49
HTT P42858 2/20 0.49
ALDH1A1 P00352 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
TDP1 Q9NUW8 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47

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
SCHEMBL9755923 0.93 ABCB1 (0.58) ABCB1RAB9ANPC1CYP3A4CYP2C9
SCHEMBL9756232 0.92 ABCB1 (0.57) ABCB1RAB9ANPC1CYP3A4CYP2C9
SCHEMBL9755906 0.89 POLB (0.61) CYP3A4CYP2C9L3MBTL1HTTPOLB
SCHEMBL9756421 0.88 ABCB1 (0.63) ABCB1RAB9ANPC1CYP3A4CYP2C9
SCHEMBL9755857 0.87 CYP3A4 (0.51) ABCB1NPC1CYP3A4CYP2C9L3MBTL1
SCHEMBL9756308 0.85 ABCB1 (0.66) ABCB1CYP3A4CYP2C9ALDH1A1MAPT
SCHEMBL9756405 0.83 ABCB1 (0.71) ABCB1CYP3A4CYP2C9POLB
SCHEMBL9756390 0.83 ABCB1 (0.63) ABCB1CYP3A4CYP2C9
SCHEMBL9756453 0.82 ABCB1 (0.54) ABCB1ALDH1A1MEN1KMT2A
SCHEMBL9756068 0.82 ABCB1 (0.62) ABCB1CYP3A4CYP2C9

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