SCHEMBL9755904

SCHEMBL9755904

CC(C)C#CC(=O)NN(C(=O)c1cccc(F)c1)C(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
RECQL P46063 1/20 0.44
POLB P06746 1/20 0.43
ABCB1 P08183 2/20 0.43
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL9755880 0.87 ABCB1 (0.58) CYP3A4CYP2C9POLBABCB1HDAC6
SCHEMBL9756128 0.85 CYP3A4 (0.51) CYP3A4CYP2C9RECQLPOLBABCB1
SCHEMBL9756369 0.85 POLB (0.60) CYP3A4CYP2C9RECQLPOLBABCB1
SCHEMBL9756168 0.83 CYP3A4 (0.49) CYP3A4CYP2C9RECQLPOLBABCB1
SCHEMBL9756400 0.83 CYP3A4 (0.53) CYP3A4CYP2C9RECQLPOLBABCB1
SCHEMBL9756090 0.81 CYP3A4 (0.47) CYP3A4CYP2C9RECQLPOLBABCB1
SCHEMBL9755909 0.81 HDAC1 (0.47) CYP3A4CYP2C9POLBABCB1HDAC1
SCHEMBL9756376 0.80 CYP3A4 (0.45) CYP3A4CYP2C9RECQLPOLBABCB1
SCHEMBL9714308 0.79 CYP3A4 (0.71) CYP3A4CYP2C9POLBABCB1HDAC1
SCHEMBL9755889 0.79 CYP3A4 (0.58) CYP3A4CYP2C9RECQLPOLBABCB1

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-0232075-A1 Insecticidal N'-substituted-N-alkylcarbonyl-N'-acyl hydrazines ROHM AND HAAS COMPANY (US) 1987-08-12 EP disclosed