SCHEMBL9755977

SCHEMBL9755977

Cc1cccc(C(=O)NN(C(=O)C2CC2)C(C)(C)C)c1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.67
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
POLB P06746 1/20 0.48
SMN1; SMN2 Q16637 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
SCHEMBL9756249 0.96 ABCB1 (0.63) ABCB1CYP3A4CYP2C9NPC1RAB9A
SCHEMBL9755941 0.96 ABCB1 (0.63) ABCB1CYP3A4CYP2C9NPC1RAB9A
SCHEMBL9755886 0.95 ABCB1 (0.62) ABCB1CYP3A4CYP2C9NPC1RAB9A
SCHEMBL9756195 0.95 ABCB1 (0.62) ABCB1CYP3A4CYP2C9NPC1RAB9A
SCHEMBL9755910 0.95 ABCB1 (0.62) ABCB1CYP3A4CYP2C9NPC1RAB9A
SCHEMBL10593052 0.89 ABCB1 (0.58) ABCB1CYP3A4CYP2C9NPC1RAB9A
SCHEMBL10593061 0.89 ABCB1 (0.58) ABCB1CYP3A4CYP2C9NPC1RAB9A
SCHEMBL10591395 0.88 ABCB1 (0.57) ABCB1CYP3A4CYP2C9NPC1RAB9A
SCHEMBL9756150 0.85 CYP3A4 (0.50) ABCB1CYP3A4CYP2C9NPC1RAB9A
SCHEMBL9756040 0.84 POLB (0.67) CYP3A4CYP2C9POLB

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