SCHEMBL8745973

SCHEMBL8745973

CCC(=O)C(=CN(C)C)C(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
CYP11B1 P15538 3/20 0.39
CYP11B2 P19099 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
CTNNB1 P35222 3/20 0.38
WNT3A P56704 3/20 0.38
F2R P25116 1/20 0.38
POLQ O75417 1/20 0.37
KCNK3 O14649 1/20 0.36
KCNK9 Q9NPC2 1/20 0.36
CTSS P25774 2/20 0.36
ACHE P22303 1/20 0.36

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
SCHEMBL2307648 0.85 LMNA (0.44) LMNAGAACYP11B1CYP11B2SMN1; SMN2
SCHEMBL2307646 0.85 LMNA (0.44) LMNAGAACYP11B1CYP11B2SMN1; SMN2
SCHEMBL402156 0.84 MEN1 (0.44) LMNAGAACYP11B1CYP11B2POLQ
SCHEMBL402157 0.84 MEN1 (0.44) LMNAGAACYP11B1CYP11B2POLQ
SCHEMBL9874152 0.83 LMNA (0.43) LMNAGAACYP11B1CYP11B2SMN1; SMN2
SCHEMBL9874146 0.83 LMNA (0.43) LMNAGAACYP11B1CYP11B2SMN1; SMN2
SCHEMBL9166573 0.78 LMNA (0.43) LMNAGAACYP11B1CYP11B2SMN1; SMN2
SCHEMBL28634751 0.72 LMNA (0.64) LMNAGAASMN1; SMN2CTNNB1WNT3A
SCHEMBL20547611 0.71 CYP11B1 (0.49) GAACYP11B1CYP11B2SMN1; SMN2
SCHEMBL1950901 0.71 CTNNB1 (0.57) LMNAGAACTNNB1WNT3AF2R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5672567-A PRE- AND POST-EMERGENCE ZENECA LIMITED (GB) 1997-09-30 US disclosed
US-5670453-A PYRAZINEARYL COMPOUND ZENECA LIMITED (GB) 1997-09-23 US disclosed
EP-0758323-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1997-02-19 EP disclosed
WO-1995029898-A1 HERBICIDAL HYDROXYBENZYL-SUBSTITUTED HETEROARYL COMPOUNDS AND DERIVATIVES THEREOF ZENECA LIMITED (GB) 1995-11-09 WO disclosed