SCHEMBL9755941

SCHEMBL9755941

Cc1cccc(C(=O)NN(C(=O)C2CCCC2)C(C)(C)C)c1

nearest known ligand 0.73

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 4/20 0.63
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
POLB P06746 2/20 0.48
KMT2A Q03164 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
NPSR1 Q6W5P4 1/20 0.45

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
SCHEMBL9756195 0.99 ABCB1 (0.62) ABCB1NPC1RAB9APOLBKMT2A
SCHEMBL9755886 0.99 ABCB1 (0.62) ABCB1NPC1RAB9APOLBKMT2A
SCHEMBL9755910 0.99 ABCB1 (0.62) ABCB1NPC1RAB9APOLBKMT2A
SCHEMBL9756249 0.97 ABCB1 (0.63) ABCB1NPC1RAB9APOLBKMT2A
SCHEMBL9755977 0.96 ABCB1 (0.67) ABCB1NPC1RAB9APOLBCYP3A4
SCHEMBL9756230 0.86 GRM5 (0.48) ABCB1NPC1RAB9APOLBCYP3A4
SCHEMBL10593061 0.86 ABCB1 (0.58) ABCB1NPC1RAB9ACYP3A4CYP2C9
SCHEMBL10593052 0.86 ABCB1 (0.58) ABCB1NPC1RAB9ACYP3A4CYP2C9
SCHEMBL9756163 0.85 POLB (0.61) POLBCYP3A4CYP2C9
SCHEMBL9756337 0.85 GRM5 (0.47) ABCB1NPC1RAB9APOLBCYP3A4

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